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1260828-18-9 | 1H-Indole-3-carbonyl chloride, 4-chloro-
CAS No: 1260828-18-9 Catalog No: AG000RE3 MDL No:
Product Description
Catalog Number:
AG000RE3
Chemical Name:
1H-Indole-3-carbonyl chloride, 4-chloro-
CAS Number:
1260828-18-9
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
IUPAC Name:
4-chloro-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-8(6)5(4-12-7)9(11)13/h1-4,12H
InChI Key:
RDYORUQWUKIDMM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c[nH]c2c1c(Cl)ccc2
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:
3.2
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