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Home > Aldehydes > 245536-50-9
245536-50-9 | Benzaldehyde, 2,3-difluoro-4-methyl-
CAS No: 245536-50-9 Catalog No: AG002OIP MDL No:MFCD01631644
Product Description
Catalog Number:
AG002OIP
Chemical Name:
Benzaldehyde, 2,3-difluoro-4-methyl-
CAS Number:
245536-50-9
Molecular Formula:
C8H6F2O
Molecular Weight:
156.1294
MDL Number:
MFCD01631644
IUPAC Name:
2,3-difluoro-4-methylbenzaldehyde
InChI:
InChI=1S/C8H6F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3
InChI Key:
YCTVOFSIRYUUAN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1F)F)C
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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