Home Halogens 3-chloro-1-methyl-1H-indole-2-carboxylic acid

3-chloro-1-methyl-1H-indole-2-carboxylic acid

CAS No.:
1043420-84-3
Catalog Number:
AG019N0X
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG019N0X
Chemical Name:
3-chloro-1-methyl-1H-indole-2-carboxylic acid
CAS Number:
1043420-84-3
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD11099635
IUPAC Name:
3-chloro-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H8ClNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
PJHFELNJKKGZHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)c2c(n1C)cccc2
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties