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7625-64-1 | Carbamic acid, (4-methylphenyl)-, phenylmethyl ester
CAS No: 7625-64-1 Catalog No: AG005EKN MDL No:
Product Description
Catalog Number:
AG005EKN
Chemical Name:
Carbamic acid, (4-methylphenyl)-, phenylmethyl ester
CAS Number:
7625-64-1
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
benzyl N-(4-methylphenyl)carbamate
InChI:
InChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)16-15(17)18-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChI Key:
VPKOEGIQXNQBHD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)OCc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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