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Home > Indoles and Oxindole > 1254122-66-1
1254122-66-1 | 1H-Indole-3-carbonyl chloride, 5-methoxy-
CAS No: 1254122-66-1 Catalog No: AG000NNG MDL No:
Product Description
Catalog Number:
AG000NNG
Chemical Name:
1H-Indole-3-carbonyl chloride, 5-methoxy-
CAS Number:
1254122-66-1
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
IUPAC Name:
5-methoxy-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C10H8ClNO2/c1-14-6-2-3-9-7(4-6)8(5-12-9)10(11)13/h2-5,12H,1H3
InChI Key:
KMBCVIWHLFFVHQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C(=O)Cl
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:
2.9
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