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1245646-74-5 | Benzoic acid, 3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, methyl ester
CAS No: 1245646-74-5 Catalog No: AG000MAZ MDL No:MFCD17677286
Product Description
Catalog Number:
AG000MAZ
Chemical Name:
Benzoic acid, 3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, methyl ester
CAS Number:
1245646-74-5
Molecular Formula:
C16H12ClNO3
Molecular Weight:
301.7244
MDL Number:
MFCD17677286
IUPAC Name:
methyl 3-(4-chloro-3-oxo-1H-isoindol-2-yl)benzoate
InChI:
InChI=1S/C16H12ClNO3/c1-21-16(20)10-4-2-6-12(8-10)18-9-11-5-3-7-13(17)14(11)15(18)19/h2-8H,9H2,1H3
InChI Key:
GRTJZIYUVGAQLO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)N1Cc2c(C1=O)c(Cl)ccc2
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.726g/mol
Monoisotopic Mass:
301.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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