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172595-67-4 | Methyl 5-chloro-1H-indole-3-carboxylate
CAS No: 172595-67-4 Catalog No: AG0037ZL MDL No:MFCD06203871
Product Description
Catalog Number:
AG0037ZL
Chemical Name:
Methyl 5-chloro-1H-indole-3-carboxylate
CAS Number:
172595-67-4
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD06203871
IUPAC Name:
methyl 5-chloro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
InChI Key:
QFNXAQPCYKEICY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(Cl)cc2
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:
3.2
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