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31110-51-7

31110-51-7 | Butanoic acid, 3-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-oxo-

CAS No: 31110-51-7 Catalog No: AG00325A MDL No:

Product Description

Catalog Number:
AG00325A
Chemical Name:
Butanoic acid, 3-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-oxo-
CAS Number:
31110-51-7
Molecular Formula:
C12H11Cl2NO4
Molecular Weight:
304.1260
IUPAC Name:
3-[(3,5-dichlorobenzoyl)amino]-3-methyl-2-oxobutanoic acid
InChI:
InChI=1S/C12H11Cl2NO4/c1-12(2,9(16)11(18)19)15-10(17)6-3-7(13)5-8(14)4-6/h3-5H,1-2H3,(H,15,17)(H,18,19)
InChI Key:
IZNSVSSZBXFRBA-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Cl)cc(c1)Cl)NC(C(=O)C(=O)O)(C)C

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.007g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.123g/mol
Monoisotopic Mass:
303.007g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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