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811-96-1 | Acetaldehyde,2-chloro-2,2-difluoro-
CAS No: 811-96-1 Catalog No: AG0055BF MDL No:
Product Description
Catalog Number:
AG0055BF
Chemical Name:
Acetaldehyde,2-chloro-2,2-difluoro-
CAS Number:
811-96-1
Molecular Formula:
C2HClF2O
Molecular Weight:
114.4785
IUPAC Name:
2-chloro-2,2-difluoroacetaldehyde
InChI:
InChI=1S/C2HClF2O/c3-2(4,5)1-6/h1H
InChI Key:
PRGCVNDIGVIGBQ-UHFFFAOYSA-N
SMILES:
O=CC(Cl)(F)F
EC Number:
212-376-5
Properties
Complexity:
62.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.968g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.476g/mol
Monoisotopic Mass:
113.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Slow-binding inhibition of carboxylesterase and other serine hydrolases by chlorodifluoroacetaldehyde. | Chemical research in toxicology 19930101 |
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