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827-33-8 | Benzenamine,4-bromo-5-chloro-2-nitro-
CAS No: 827-33-8 Catalog No: AG004ZPY MDL No:MFCD11100159
Product Description
Catalog Number:
AG004ZPY
Chemical Name:
Benzenamine,4-bromo-5-chloro-2-nitro-
CAS Number:
827-33-8
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
MDL Number:
MFCD11100159
IUPAC Name:
4-bromo-5-chloro-2-nitroaniline
InChI:
InChI=1S/C6H4BrClN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
InChI Key:
XXIFMWKGKJWFOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1N)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.914g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.464g/mol
Monoisotopic Mass:
249.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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