Home Halogens 6-chloro-4-methyl-1H-indole-2-carboxylic acid

6-chloro-4-methyl-1H-indole-2-carboxylic acid

CAS No.:
1699668-61-5
Catalog Number:
AG01DYUC
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG01DYUC
Chemical Name:
6-chloro-4-methyl-1H-indole-2-carboxylic acid
CAS Number:
1699668-61-5
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD29955194
IUPAC Name:
6-chloro-4-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H8ClNO2/c1-5-2-6(11)3-8-7(5)4-9(12-8)10(13)14/h2-4,12H,1H3,(H,13,14)
InChI Key:
GRUMAUQDNDQXFH-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c2c(c1)[nH]c(c2)C(=O)O
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:
2  
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties