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954228-85-4 | N-Benzyl-5-bromo-3-nitropyridin-2-amine
CAS No: 954228-85-4 Catalog No: AG003SRI MDL No:MFCD09862702
Product Description
Catalog Number:
AG003SRI
Chemical Name:
N-Benzyl-5-bromo-3-nitropyridin-2-amine
CAS Number:
954228-85-4
Molecular Formula:
C12H10BrN3O2
Molecular Weight:
308.1307
MDL Number:
MFCD09862702
IUPAC Name:
N-benzyl-5-bromo-3-nitropyridin-2-amine
InChI:
InChI=1S/C12H10BrN3O2/c13-10-6-11(16(17)18)12(15-8-10)14-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
InChI Key:
IAWNGUVINRYLKT-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)[N+](=O)[O-])NCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.135g/mol
Monoisotopic Mass:
306.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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