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4-IODO-3-NITROBENZOTRIFLUORIDE structure

4-IODO-3-NITROBENZOTRIFLUORIDE

CAS：400-97-5
MW:317
MF：C7H3F3INO2

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Names and ldentifier
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 4-IODO-3-NITROBENZOTRIFLUORIDE

1.2 Synonyms: 4-iodo-2-nitro-1-(trifluoromethyl)benzene; Benzene, 1-iodo-2-nitro-4-(trifluoromethyl)-;

1.3 CAS No.: 400-97-5

1.4 CID: 14502062

1.5 Molecular Formula: C7H3F3INO2

1.6 Inchi: InChI=1S/C7H3F3INO2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H

1.7 InChkey: CIDKWMAVWQNYNV-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])I

1.9 Isomers Smiles: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])I

2. Computed Properties

Molecular Weight：317g/mol
Molecular Formula：C₇H₃F₃INO₂
Compound Is Canonicalized：True
Exact Mass：3.3
XLogP3-AA：316.91606
Monoisotopic Mass：316.91606
Complexity：228
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：45.8
Heavy Atom Count：：14
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBiMYAAAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAkAAAADAiDGBAwwIAQQACBAiRCQwCCAAAgAgAoiAAAZIoIICKAkZGAIABggAAIyAcQgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

3. Toltal 11 Suppliers View more

4-Iodo-3-nitrobenzotrifluoride

Dayang Chem (Hangzhou) Co., Ltd.

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Tel: Update Time:2024/06/17

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1-Iodo-2-nitro-4-(trifluoromethyl)benzene

Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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4-Iodo-3-nitrobenzotrifluoride

Hangzhou J&H Chemical Co., Ltd

Tel: Update Time:2017/12/14

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4-Iodo-3-nitrobenzotrifluoride

Shanghai FWD Chemicals ltd

Tel: Update Time:2019/10/26

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4-IODO-3-NITROBENZOTRIFLUORIDE

Shijiazhuang Sdyano Fine Chemical Co., Ltd

Tel: Update Time:2019/04/01

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4. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

2. Computational chemical data

3. Toltal 11 Suppliers

4. Realated Product Infomation

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