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1033202-35-5 | 5-Bromo-N-(4-methoxybenzyl);-3-nitropyridin-2-amine
CAS No: 1033202-35-5 Catalog No: AG003MK9 MDL No:MFCD10699706
Product Description
Catalog Number:
AG003MK9
Chemical Name:
5-Bromo-N-(4-methoxybenzyl);-3-nitropyridin-2-amine
CAS Number:
1033202-35-5
Molecular Formula:
C13H12BrN3O3
Molecular Weight:
338.1567
MDL Number:
MFCD10699706
IUPAC Name:
5-bromo-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
InChI:
InChI=1S/C13H12BrN3O3/c1-20-11-4-2-9(3-5-11)7-15-13-12(17(18)19)6-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16)
InChI Key:
FQFRHGLSEXNIPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ncc(cc1[N+](=O)[O-])Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.161g/mol
Monoisotopic Mass:
337.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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