Home Halogens 6-chloro-5-methoxy-1H-indole-3-carboxylic acid

6-chloro-5-methoxy-1H-indole-3-carboxylic acid

CAS No.:
1368874-78-5
Catalog Number:
AG01BBRL
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
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Product Description
Catalog Number:
AG01BBRL
Chemical Name:
6-chloro-5-methoxy-1H-indole-3-carboxylic acid
CAS Number:
1368874-78-5
Molecular Formula:
C10H8ClNO3
Molecular Weight:
225.6284
MDL Number:
MFCD21908954
IUPAC Name:
6-chloro-5-methoxy-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H8ClNO3/c1-15-9-2-5-6(10(13)14)4-12-8(5)3-7(9)11/h2-4,12H,1H3,(H,13,14)
InChI Key:
KVLNURBTNLNINV-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1Cl)[nH]cc2C(=O)O
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.628g/mol
Monoisotopic Mass:
225.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties