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Home > Aldehydes > 878001-20-8
878001-20-8 | 2-Methyl-3-(trifluoromethyl);benzaldehyde
CAS No: 878001-20-8 Catalog No: AG003B92 MDL No:MFCD04116032
Product Description
Catalog Number:
AG003B92
Chemical Name:
2-Methyl-3-(trifluoromethyl);benzaldehyde
CAS Number:
878001-20-8
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD04116032
IUPAC Name:
2-methyl-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-5H,1H3
InChI Key:
CUQHTBQRXZCFTC-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C)C(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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