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147021-89-4 | 1,2-Benzenediamine, 4-bromo-3-nitro-
CAS No: 147021-89-4 Catalog No: AG001EIH MDL No:MFCD11040197
Product Description
Catalog Number:
AG001EIH
Chemical Name:
1,2-Benzenediamine, 4-bromo-3-nitro-
CAS Number:
147021-89-4
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD11040197
IUPAC Name:
4-bromo-3-nitrobenzene-1,2-diamine
InChI:
InChI=1S/C6H6BrN3O2/c7-3-1-2-4(8)5(9)6(3)10(11)12/h1-2H,8-9H2
InChI Key:
UJXICRJJECIZTR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ccc(c1N)N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.037g/mol
Monoisotopic Mass:
230.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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