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1260583-10-5 | Benzenemethanamine, 2-bromo-6-nitro-
CAS No: 1260583-10-5 Catalog No: AG000QUW MDL No:
Product Description
Catalog Number:
AG000QUW
Chemical Name:
Benzenemethanamine, 2-bromo-6-nitro-
CAS Number:
1260583-10-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
(2-bromo-6-nitrophenyl)methanamine
InChI:
InChI=1S/C7H7BrN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,4,9H2
InChI Key:
PTQLBJPXFPKLKN-UHFFFAOYSA-N
SMILES:
NCc1c(Br)cccc1[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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