Home Halogens 2-(2-chloroacetamido)-3-methylbenzoic acid

2-(2-chloroacetamido)-3-methylbenzoic acid

CAS No.:
131058-31-6
Catalog Number:
AG019PH1
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
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Product Description
Catalog Number:
AG019PH1
Chemical Name:
2-(2-chloroacetamido)-3-methylbenzoic acid
CAS Number:
131058-31-6
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
MDL Number:
MFCD09040370
IUPAC Name:
2-[(2-chloroacetyl)amino]-3-methylbenzoic acid
InChI:
InChI=1S/C10H10ClNO3/c1-6-3-2-4-7(10(14)15)9(6)12-8(13)5-11/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
BOTBQDIFXCKZQA-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1c(C)cccc1C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties