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1261685-05-5 | Benzenemethanamine, 2-bromo-3-nitro-
CAS No: 1261685-05-5 Catalog No: AG000RY3 MDL No:
Product Description
Catalog Number:
AG000RY3
Chemical Name:
Benzenemethanamine, 2-bromo-3-nitro-
CAS Number:
1261685-05-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
(2-bromo-3-nitrophenyl)methanamine
InChI:
InChI=1S/C7H7BrN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H,4,9H2
InChI Key:
CCGZCZWPFBTHPQ-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1Br)[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
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