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83894-17-1 | 1H-Indole-3-carbonylchloride, 2-chloro-
CAS No: 83894-17-1 Catalog No: AG005406 MDL No:
Product Description
Catalog Number:
AG005406
Chemical Name:
1H-Indole-3-carbonylchloride, 2-chloro-
CAS Number:
83894-17-1
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
IUPAC Name:
2-chloro-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C9H5Cl2NO/c10-8-7(9(11)13)5-3-1-2-4-6(5)12-8/h1-4,12H
InChI Key:
ISPQTETUXLOOFK-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(Cl)[nH]c2c1cccc2
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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