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1255098-87-3 | 1H-Indole-2-carboxylic acid, 5-chloro-7-fluoro-, methyl ester
CAS No: 1255098-87-3 Catalog No: AG000NRQ MDL No:
Product Description
Catalog Number:
AG000NRQ
Chemical Name:
1H-Indole-2-carboxylic acid, 5-chloro-7-fluoro-, methyl ester
CAS Number:
1255098-87-3
Molecular Formula:
C10H7ClFNO2
Molecular Weight:
227.6195
IUPAC Name:
methyl 5-chloro-7-fluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H7ClFNO2/c1-15-10(14)8-3-5-2-6(11)4-7(12)9(5)13-8/h2-4,13H,1H3
InChI Key:
XIVIFWHIIZITDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)c(F)cc(c2)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.619g/mol
Monoisotopic Mass:
227.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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