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Home > Nitro Compounds > 10359-18-9
10359-18-9 | N-[(4-nitrophenyl)methyl]aniline
CAS No: 10359-18-9 Catalog No: AG019T27 MDL No:MFCD00439160
Product Description
Catalog Number:
AG019T27
Chemical Name:
N-[(4-nitrophenyl)methyl]aniline
CAS Number:
10359-18-9
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD00439160
IUPAC Name:
N-[(4-nitrophenyl)methyl]aniline
InChI:
InChI=1S/C13H12N2O2/c16-15(17)13-8-6-11(7-9-13)10-14-12-4-2-1-3-5-12/h1-9,14H,10H2
InChI Key:
BFPIOTHCNQDBNL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CNc1ccccc1
NSC Number:
95596
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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