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Home > Indoles and Oxindole > 215941-02-9
215941-02-9 | 1H-Indole-6-carbonylchloride
CAS No: 215941-02-9 Catalog No: AG0070JO MDL No:
Product Description
Catalog Number:
AG0070JO
Chemical Name:
1H-Indole-6-carbonylchloride
CAS Number:
215941-02-9
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
IUPAC Name:
1H-indole-6-carbonyl chloride
InChI:
InChI=1S/C9H6ClNO/c10-9(12)7-2-1-6-3-4-11-8(6)5-7/h1-5,11H
InChI Key:
ASPUVXAGGCKFAO-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)[nH]cc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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