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112641-20-0 | 2-Fluoro-3-(trifluoromethyl)benzaldehyde
CAS No: 112641-20-0 Catalog No: AG003H8K MDL No:MFCD00061246
Product Description
Catalog Number:
AG003H8K
Chemical Name:
2-Fluoro-3-(trifluoromethyl)benzaldehyde
CAS Number:
112641-20-0
Molecular Formula:
C8H4F4O
Molecular Weight:
192.1104
MDL Number:
MFCD00061246
IUPAC Name:
2-fluoro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H
InChI Key:
XDMZVNQKVMTCSP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1F)C(F)(F)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.113g/mol
Monoisotopic Mass:
192.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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