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Organic Intermediate
2-BroMo-4-chloro-5-fluoronitrobenzene
CAS:
960000-99-1
MW:
254.439
MF:
C6H2BrClFNO2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-BroMo-4-chloro-5-fluoronitrobenzene
1.2 Synonyms
1-BroMo-5-chloro-4-fluoro-2-nitrobenzene; Benzene, 1-bromo-5-chloro-4-fluoro-2-nitro-;
1.3 CAS No.
960000-99-1
1.4 CID
50998078
1.5 Molecular Formula
C6H2BrClFNO2
1.6 Inchi
InChI=1S/C6H2BrClFNO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H
1.7 InChkey
KPAVKOUZDIGLJY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C(=CC(=C1F)Cl)Br)[N+](=O)[O-]
1.9 Isomers Smiles
C1=C(C(=CC(=C1F)Cl)Br)[N+](=O)[O-]
2. Synthesis Route
960000-99-1
Total: 2 Synthesis Route
60811-21-4
72 Suppliers
960000-99-1
3 Suppliers
104222-34-6
39 Suppliers
960000-99-1
3 Suppliers
3. Precursor and Product
precursor:
60811-21-4
104222-34-6
4. Computed Properties
Molecular Weight:
254.439g/mol
Molecular Formula:
C
6
H
2
BrClFNO
2
Compound Is Canonicalized:
True
XLogP3-AA:
252.89415
Monoisotopic Mass:
252.89415
Complexity:
189
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Topological Polar Surface Area:
45.8
Heavy Atom Count::
12
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:
AAADcQBiMQAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQJEAAABqAqBECgwwIAQQACBACRCQwCCAAAgBwQgiAAAZqoIICKBkpGAIABggAAIyhcQAAAAAABAAABAAAgAAIAAAIAAEAAAAAAAAA==
5. Toltal 3 Suppliers
View more
Atomax Chemicals Co.,Ltd
Tel:
Update Time:
2019/07/29
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Changzhou Ansciep Chemical Co.,Ltd.
Tel:
Update Time:
2019/02/25
inquire
Rosewell Industry Co., Ltd
Tel:
Update Time:
2017/04/06
inquire
6. Realated Product Infomation
2-bromo-4-chloro-6-fluoronitrobenzene
cas:1642542-05-9
3-Bromo-4-fluoronitrobenzene
cas:701-45-1
2-Bromo-4-fluoronitrobenzene
cas:700-36-7
3-BROMO-2-FLUORONITROBENZENE
cas:58534-94-4
2-Bromo-3-fluoronitrobenzene
cas:59255-94-6
2-Bromo-5-fluoronitrobenzene
cas:46-09-3
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.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Toltal 3 Suppliers
6.
Realated Product Infomation
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