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Home > Aldehydes > 189628-39-5
189628-39-5 | Benzaldehyde, 3-fluoro-5-methyl-
CAS No: 189628-39-5 Catalog No: AG002DTF MDL No:MFCD03094315
Product Description
Catalog Number:
AG002DTF
Chemical Name:
Benzaldehyde, 3-fluoro-5-methyl-
CAS Number:
189628-39-5
Molecular Formula:
C8H7FO
Molecular Weight:
138.1390
MDL Number:
MFCD03094315
IUPAC Name:
3-fluoro-5-methylbenzaldehyde
InChI:
InChI=1S/C8H7FO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
InChI Key:
XXPITUUQKCGWNR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)cc(c1)F
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.141g/mol
Monoisotopic Mass:
138.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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