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Home > Nitro Compounds > 1154572-51-6
1154572-51-6 | 2-nitro-N-[1-(pyridin-3-yl)ethyl]aniline
CAS No: 1154572-51-6 Catalog No: AG00JWHY MDL No:MFCD12477061
Product Description
Catalog Number:
AG00JWHY
Chemical Name:
2-nitro-N-[1-(pyridin-3-yl)ethyl]aniline
CAS Number:
1154572-51-6
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD12477061
IUPAC Name:
2-nitro-N-(1-pyridin-3-ylethyl)aniline
InChI:
InChI=1S/C13H13N3O2/c1-10(11-5-4-8-14-9-11)15-12-6-2-3-7-13(12)16(17)18/h2-10,15H,1H3
InChI Key:
OPCMFTWXZYFRQC-UHFFFAOYSA-N
SMILES:
CC(c1cccnc1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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