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123876-56-2 | Benzoic acid, 4-[(phenylmethyl)amino]-, methyl ester
CAS No: 123876-56-2 Catalog No: AG000L78 MDL No:
Product Description
Catalog Number:
AG000L78
Chemical Name:
Benzoic acid, 4-[(phenylmethyl)amino]-, methyl ester
CAS Number:
123876-56-2
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
methyl 4-(benzylamino)benzoate
InChI:
InChI=1S/C15H15NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChI Key:
LFUBRMQHWKUBDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NCc1ccccc1
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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