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18063-02-0 | Benzoyl chloride, 2,6-difluoro-
CAS No: 18063-02-0 Catalog No: AG00226N MDL No:MFCD00000659
Product Description
Catalog Number:
AG00226N
Chemical Name:
Benzoyl chloride, 2,6-difluoro-
CAS Number:
18063-02-0
Molecular Formula:
C7H3ClF2O
Molecular Weight:
176.5479
MDL Number:
MFCD00000659
IUPAC Name:
2,6-difluorobenzoyl chloride
InChI:
InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
InChI Key:
QRHUZEVERIHEPT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(F)cccc1F
EC Number:
241-971-2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.547g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Solvolyses of benzoyl chlorides in weakly nucleophilic media. | International journal of molecular sciences 20110101 |
| (Z)-Ethyl 3-(4-chloro-phen-yl)-2-cyano-3-(2,6-difluoro-benzamido)acrylate. | Acta crystallographica. Section E, Structure reports online 20081201 |
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