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118040-66-7 | 1H-Imidazole, 1-[(4-nitrophenyl)phenylmethyl]-
CAS No: 118040-66-7 Catalog No: AG00773V MDL No:
Product Description
Catalog Number:
AG00773V
Chemical Name:
1H-Imidazole, 1-[(4-nitrophenyl)phenylmethyl]-
CAS Number:
118040-66-7
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
1-[(4-nitrophenyl)-phenylmethyl]imidazole
InChI:
InChI=1S/C16H13N3O2/c20-19(21)15-8-6-14(7-9-15)16(18-11-10-17-12-18)13-4-2-1-3-5-13/h1-12,16H
InChI Key:
LEMIWZFXIZYJKQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(n1cncc1)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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