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(4-BroMo-3-nitro-phenyl)-diMethyl-aMine

CAS No.:
70076-04-9
Catalog Number:
AG00FGP6
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
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Product Description
Catalog Number:
AG00FGP6
Chemical Name:
(4-BroMo-3-nitro-phenyl)-diMethyl-aMine
CAS Number:
70076-04-9
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD02062996
IUPAC Name:
4-bromo-N,N-dimethyl-3-nitroaniline
InChI:
InChI=1S/C8H9BrN2O2/c1-10(2)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3
InChI Key:
NMLRNMMRKWXQLD-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)[N+](=O)[O-])Br)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties