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Home > Aldehydes > 261763-02-4
261763-02-4 | Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-
CAS No: 261763-02-4 Catalog No: AG002S1R MDL No:MFCD01631510
Product Description
Catalog Number:
AG002S1R
Chemical Name:
Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-
CAS Number:
261763-02-4
Molecular Formula:
C8H3ClF4O
Molecular Weight:
226.5554
MDL Number:
MFCD01631510
IUPAC Name:
3-chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H
InChI Key:
MSZTVIFIFJCNRQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.555g/mol
Monoisotopic Mass:
225.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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