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1222-42-0 | Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, methyl ester
CAS No: 1222-42-0 Catalog No: AG0016XL MDL No:MFCD01661278
Product Description
Catalog Number:
AG0016XL
Chemical Name:
Benzoic acid, 2-[(2,3-dimethylphenyl)amino]-, methyl ester
CAS Number:
1222-42-0
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
MDL Number:
MFCD01661278
IUPAC Name:
methyl 2-(2,3-dimethylanilino)benzoate
InChI:
InChI=1S/C16H17NO2/c1-11-7-6-10-14(12(11)2)17-15-9-5-4-8-13(15)16(18)19-3/h4-10,17H,1-3H3
InChI Key:
LCCVYZLUEHOBDC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1Nc1cccc(c1C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| [2-(2,3-Dimethyl-anilino)phen-yl]methanol. | Acta crystallographica. Section E, Structure reports online 20100901 |
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