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387-45-1 | 2-Chloro-6-fluorobenzaldehyde
CAS No: 387-45-1 Catalog No: AG00338Q MDL No:MFCD00003306
Product Description
Catalog Number:
AG00338Q
Chemical Name:
2-Chloro-6-fluorobenzaldehyde
CAS Number:
387-45-1
Molecular Formula:
C7H4ClFO
Molecular Weight:
158.5575
MDL Number:
MFCD00003306
IUPAC Name:
2-chloro-6-fluorobenzaldehyde
InChI:
InChI=1S/C7H4ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChI Key:
OACPOWYLLGHGCR-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)cccc1Cl
EC Number:
206-860-5
UNII:
51YJ9BW8W7
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.556g/mol
Monoisotopic Mass:
157.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 3-(2-Chloro-6-fluoro-phen-yl)-1-(2-thien-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20080901 |
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