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1260850-34-7 | 1H-Indole-2-carbonyl chloride, 4-chloro-
CAS No: 1260850-34-7 Catalog No: AG000RGM MDL No:
Product Description
Catalog Number:
AG000RGM
Chemical Name:
1H-Indole-2-carbonyl chloride, 4-chloro-
CAS Number:
1260850-34-7
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
IUPAC Name:
4-chloro-1H-indole-2-carbonyl chloride
InChI:
InChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-5(6)4-8(12-7)9(11)13/h1-4,12H
InChI Key:
BMQXBOWCLXMJBS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc2c([nH]1)cccc2Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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