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230291-43-7 | 1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester
CAS No: 230291-43-7 Catalog No: AG002LWV MDL No:MFCD04966957
Product Description
Catalog Number:
AG002LWV
Chemical Name:
1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester
CAS Number:
230291-43-7
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD04966957
IUPAC Name:
methyl 4-chloro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
InChI Key:
VCWSTLMSXZPPMD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cccc2Cl
Properties
Complexity:
234
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:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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