Home Nitros (2-Bromo-4-nitrophenyl)methanamine

(2-Bromo-4-nitrophenyl)methanamine

CAS No.:
1184618-20-9
Catalog Number:
AG00HEK4
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
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Product Description
Catalog Number:
AG00HEK4
Chemical Name:
(2-Bromo-4-nitrophenyl)methanamine
CAS Number:
1184618-20-9
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD12152228
IUPAC Name:
(2-bromo-4-nitrophenyl)methanamine
InChI:
InChI=1S/C7H7BrN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H,4,9H2
InChI Key:
VMXORVQLHXOZFI-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties