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3-Amino-5-bromo-4-nitrobenzotrifluoride
CAS:
1980075-08-8
MW:
285.02
MF:
C7H4BrF3N2O2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
3-Amino-5-bromo-4-nitrobenzotrifluoride
1.2 Synonyms
3-Bromo-2-nitro-5-(trifluoromethyl)aniline; Benzenamine, 3-bromo-2-nitro-5-(trifluoromethyl)-; MFCD28397841;
1.3 CAS No.
1980075-08-8
1.4 CID
99770461
1.5 Molecular Formula
C7H4BrF3N2O2
1.6 Inchi
InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13(14)15/h1-2H,12H2
1.7 InChkey
XFJISSTUEJKWTJ-UHFFFAOYSA-N
1.8 Canonical Smiles
c1c(cc(c(c1N)[N+](=O)[O-])Br)C(F)(F)F
1.9 Isomers Smiles
C1C(Br)=C([N+](=O)[O-])C(N)=CC=1C(F)(F)F
2. Computed Properties
Molecular Weight:
285.02g/mol
Molecular Formula:
C
7
H
4
BrF
3
N
2
O
2
Compound Is Canonicalized:
True
Exact Mass:
3.2
XLogP3-AA:
283.94082
Monoisotopic Mass:
283.94082
Complexity:
256
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Topological Polar Surface Area:
71.8
Heavy Atom Count::
15
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:
AAADcYBjMYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQBUAAABrAiBGBAwwIBQQACBAiRCQwCCAAAgAgQgiAAAdKoIYCKAkZGAIABgkIAIyhcQgAAOCAAAUAEAACgQAACgAgAAUAAAAAAAAA==
3. Toltal 1 Suppliers
View more
Apollo Scientific Ltd.
Tel:
Update Time:
2022/01/01
inquire
4. Realated Product Infomation
2-Amino-5-Bromo-3-Nitrobenzotrifluoride
cas:157026-18-1
4-AMINO-3-BROMO-5-NITROBENZOTRIFLUORIDE
cas:113170-71-1
2-Amino-3-bromo-5-nitrobenzotrifluoride 95+%
cas:400-66-8
2-Bromo-5-nitrobenzotrifluoride
cas:367-67-9
4-Bromo-3-nitrobenzotrifluoride
cas:349-03-1
3-BROMO-5-NITROBENZOTRIFLUORIDE
cas:630125-49-4
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 1 Suppliers
4.
Realated Product Infomation
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