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Home > Aldehydes > 1261737-50-1
1261737-50-1 | Benzaldehyde, 3-chloro-4,5-difluoro-
CAS No: 1261737-50-1 Catalog No: AG000RZ0 MDL No:
Product Description
Catalog Number:
AG000RZ0
Chemical Name:
Benzaldehyde, 3-chloro-4,5-difluoro-
CAS Number:
1261737-50-1
Molecular Formula:
C7H3ClF2O
Molecular Weight:
176.5479
IUPAC Name:
3-chloro-4,5-difluorobenzaldehyde
InChI:
InChI=1S/C7H3ClF2O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChI Key:
HQSIMCODZRPQRV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)Cl)F
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.547g/mol
Monoisotopic Mass:
175.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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