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112641-26-6 | 3-chloro-2-(trifluoromethyl)benzaldehyde
CAS No: 112641-26-6 Catalog No: AG01EM49 MDL No:MFCD13185467
Product Description
Catalog Number:
AG01EM49
Chemical Name:
3-chloro-2-(trifluoromethyl)benzaldehyde
CAS Number:
112641-26-6
Molecular Formula:
C8H4ClF3O
Molecular Weight:
208.5650
MDL Number:
MFCD13185467
IUPAC Name:
3-chloro-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4ClF3O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-4H
InChI Key:
ODKDFQDBMHPWEP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1C(F)(F)F)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.564g/mol
Monoisotopic Mass:
207.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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