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1218764-80-7 | Benzenamine, 2-bromo-3-fluoro-6-nitro-
CAS No: 1218764-80-7 Catalog No: AG00166P MDL No:MFCD18071077
Product Description
Catalog Number:
AG00166P
Chemical Name:
Benzenamine, 2-bromo-3-fluoro-6-nitro-
CAS Number:
1218764-80-7
Molecular Formula:
C6H4BrFN2O2
Molecular Weight:
235.0106
MDL Number:
MFCD18071077
IUPAC Name:
2-bromo-3-fluoro-6-nitroaniline
InChI:
InChI=1S/C6H4BrFN2O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,9H2
InChI Key:
WSVLWVONLAQTJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1N)Br)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.012g/mol
Monoisotopic Mass:
233.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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