Home Halogens Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester

Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester

CAS No.:
79101-83-0
Catalog Number:
AG00GAJC
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
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Product Description
Catalog Number:
AG00GAJC
Chemical Name:
Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester
CAS Number:
79101-83-0
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD11501868
IUPAC Name:
methyl 2-amino-5-chloro-3-methylbenzoate
InChI:
InChI=1S/C9H10ClNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:
BOYQWVQNPIZDPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1N)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties