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Home > Aldehydes > 1017778-64-1
1017778-64-1 | Benzaldehyde, 3,4-difluoro-5-methyl-
CAS No: 1017778-64-1 Catalog No: AG0005HH MDL No:MFCD09832333
Product Description
Catalog Number:
AG0005HH
Chemical Name:
Benzaldehyde, 3,4-difluoro-5-methyl-
CAS Number:
1017778-64-1
Molecular Formula:
C8H6F2O
Molecular Weight:
156.1294
MDL Number:
MFCD09832333
IUPAC Name:
3,4-difluoro-5-methylbenzaldehyde
InChI:
InChI=1S/C8H6F2O/c1-5-2-6(4-11)3-7(9)8(5)10/h2-4H,1H3
InChI Key:
JYJHDXILRBVZBI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)F)F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.039g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.132g/mol
Monoisotopic Mass:
156.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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