Home Nitros 4-Bromo-5-nitrobenzene-1,2-diamine

4-Bromo-5-nitrobenzene-1,2-diamine

CAS No.:
113269-07-1
Catalog Number:
AG0094HM
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
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Product Description
Catalog Number:
AG0094HM
Chemical Name:
4-Bromo-5-nitrobenzene-1,2-diamine
CAS Number:
113269-07-1
Molecular Formula:
C6H6BrN3O2
Molecular Weight:
232.0347
MDL Number:
MFCD21604159
IUPAC Name:
4-bromo-5-nitrobenzene-1,2-diamine
InChI:
InChI=1S/C6H6BrN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2
InChI Key:
XGXKPRVKQPWQOY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(cc1Br)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:
1.1  
Properties