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1260794-86-2 | 1H-Indole-3-carbonyl chloride, 6-chloro-
CAS No: 1260794-86-2 Catalog No: AG000RAW MDL No:MFCD11520802
Product Description
Catalog Number:
AG000RAW
Chemical Name:
1H-Indole-3-carbonyl chloride, 6-chloro-
CAS Number:
1260794-86-2
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
MDL Number:
MFCD11520802
IUPAC Name:
6-chloro-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C9H5Cl2NO/c10-5-1-2-6-7(9(11)13)4-12-8(6)3-5/h1-4,12H
InChI Key:
WDQZPQDXHBYEIU-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]cc2C(=O)Cl
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:
3.6
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