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Home > Aldehydes > 101513-80-8
101513-80-8 | Benzaldehyde, 3-chloro-2,4,5-trifluoro-
CAS No: 101513-80-8 Catalog No: AG0004P3 MDL No:MFCD04972744
Product Description
Catalog Number:
AG0004P3
Chemical Name:
Benzaldehyde, 3-chloro-2,4,5-trifluoro-
CAS Number:
101513-80-8
Molecular Formula:
C7H2ClF3O
Molecular Weight:
194.5384
MDL Number:
MFCD04972744
IUPAC Name:
3-chloro-2,4,5-trifluorobenzaldehyde
InChI:
InChI=1S/C7H2ClF3O/c8-5-6(10)3(2-12)1-4(9)7(5)11/h1-2H
InChI Key:
FNOTUPISSVMOCU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1F)Cl)F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.537g/mol
Monoisotopic Mass:
193.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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