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Home Halogens 4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid

4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid

CAS No.:
196934-77-7
Catalog Number:
AG00APFP
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00APFP
Chemical Name:
4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid
CAS Number:
196934-77-7
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD00157482
IUPAC Name:
4-(3-chloro-2-methylanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C11H12ClNO3/c1-7-8(12)3-2-4-9(7)13-10(14)5-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
GLCMKFQSMILAEC-UHFFFAOYSA-N
SMILES:
Cc1c(NC(=O)CCC(=O)O)cccc1Cl
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
N-(3-Chloro-2-methyl-phen-yl)succinamic acid. Acta crystallographica. Section E, Structure reports online 20120601
Properties