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100870-32-4 | Benzeneethanamine, N-(2-nitrophenyl)-
CAS No: 100870-32-4 Catalog No: AG00032O MDL No:MFCD01907051
Product Description
Catalog Number:
AG00032O
Chemical Name:
Benzeneethanamine, N-(2-nitrophenyl)-
CAS Number:
100870-32-4
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD01907051
IUPAC Name:
2-nitro-N-(2-phenylethyl)aniline
InChI:
InChI=1S/C14H14N2O2/c17-16(18)14-9-5-4-8-13(14)15-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChI Key:
ROBBUBPDMDQMGG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1NCCc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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