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Home > Aldehydes > 137780-58-6
137780-58-6 | Benzaldehyde, 4-(chlorodifluoromethyl)-
CAS No: 137780-58-6 Catalog No: AG007ZKF MDL No:
Product Description
Catalog Number:
AG007ZKF
Chemical Name:
Benzaldehyde, 4-(chlorodifluoromethyl)-
CAS Number:
137780-58-6
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
IUPAC Name:
4-[chloro(difluoro)methyl]benzaldehyde
InChI:
InChI=1S/C8H5ClF2O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChI Key:
IMKLYAOYOTYFQH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(Cl)(F)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.574g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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