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1260894-63-0 | 1H-Indole-3-carbonyl chloride, 5,6-difluoro-
CAS No: 1260894-63-0 Catalog No: AG000RKQ MDL No:
Product Description
Catalog Number:
AG000RKQ
Chemical Name:
1H-Indole-3-carbonyl chloride, 5,6-difluoro-
CAS Number:
1260894-63-0
Molecular Formula:
C9H4ClF2NO
Molecular Weight:
215.5840
IUPAC Name:
5,6-difluoro-1H-indole-3-carbonyl chloride
InChI:
InChI=1S/C9H4ClF2NO/c10-9(14)5-3-13-8-2-7(12)6(11)1-4(5)8/h1-3,13H
InChI Key:
NWQJDTCJNFUXAU-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c[nH]c2c1cc(F)c(c2)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.584g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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