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102121-30-2 | Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester
CAS No: 102121-30-2 Catalog No: AG0006OG MDL No:
Product Description
Catalog Number:
AG0006OG
Chemical Name:
Benzoic acid, 4-[[[4-(1-methylethyl)phenyl]amino]carbonyl]-, methyl ester
CAS Number:
102121-30-2
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
methyl 4-[(4-propan-2-ylphenyl)carbamoyl]benzoate
InChI:
InChI=1S/C18H19NO3/c1-12(2)13-8-10-16(11-9-13)19-17(20)14-4-6-15(7-5-14)18(21)22-3/h4-12H,1-3H3,(H,19,20)
InChI Key:
LOEXZXVTHVKBRC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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