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1000573-99-8 | Benzenamine, 4-bromo-3-chloro-2-nitro-
CAS No: 1000573-99-8 Catalog No: AG0000R6 MDL No:MFCD09878187
Product Description
Catalog Number:
AG0000R6
Chemical Name:
Benzenamine, 4-bromo-3-chloro-2-nitro-
CAS Number:
1000573-99-8
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
MDL Number:
MFCD09878187
IUPAC Name:
4-bromo-3-chloro-2-nitroaniline
InChI:
InChI=1S/C6H4BrClN2O2/c7-3-1-2-4(9)6(5(3)8)10(11)12/h1-2H,9H2
InChI Key:
CQFJUGCVNFUHRZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)ccc(c1Cl)Br
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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