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31110-42-6 | Butanoic acid, 3-[(3,5-dichlorobenzoyl)amino]-2-hydroxy-3-methyl-
CAS No: 31110-42-6 Catalog No: AG00325B MDL No:
Product Description
Catalog Number:
AG00325B
Chemical Name:
Butanoic acid, 3-[(3,5-dichlorobenzoyl)amino]-2-hydroxy-3-methyl-
CAS Number:
31110-42-6
Molecular Formula:
C12H13Cl2NO4
Molecular Weight:
306.1419
IUPAC Name:
3-[(3,5-dichlorobenzoyl)amino]-2-hydroxy-3-methylbutanoic acid
InChI:
InChI=1S/C12H13Cl2NO4/c1-12(2,9(16)11(18)19)15-10(17)6-3-7(13)5-8(14)4-6/h3-5,9,16H,1-2H3,(H,15,17)(H,18,19)
InChI Key:
BEYJASDJHZYFRD-UHFFFAOYSA-N
SMILES:
OC(C(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.139g/mol
Monoisotopic Mass:
305.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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