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Home > Aldehydes > 104451-99-2
104451-99-2 | 2-Chloro-6-fluoro-3-methylbenzaldehyde
CAS No: 104451-99-2 Catalog No: AG003H08 MDL No:MFCD01631360
Product Description
Catalog Number:
AG003H08
Chemical Name:
2-Chloro-6-fluoro-3-methylbenzaldehyde
CAS Number:
104451-99-2
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD01631360
IUPAC Name:
2-chloro-6-fluoro-3-methylbenzaldehyde
InChI:
InChI=1S/C8H6ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3
InChI Key:
CSYKEPRGLYWJCW-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)ccc(c1Cl)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.583g/mol
Monoisotopic Mass:
172.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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