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Home > Indoles and Oxindole > 78942-72-0
78942-72-0 | 1H-Indole-3-carbonylchloride, 4,7-dihydroxy-
CAS No: 78942-72-0 Catalog No: AG005OAS MDL No:
Product Description
Catalog Number:
AG005OAS
Chemical Name:
1H-Indole-3-carbonylchloride, 4,7-dihydroxy-
CAS Number:
78942-72-0
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
IUPAC Name:
4,7-dihydroxy-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C9H6ClNO3/c10-9(14)4-3-11-8-6(13)2-1-5(12)7(4)8/h1-3,11-13H
InChI Key:
ZMDITXFRBQJQGG-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c[nH]c2c1c(O)ccc2O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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