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Home > Aldehydes > 959216-64-9
959216-64-9 | BENZALDEHYDE, 2,5-DIFLUORO-3,4-DIHYDROXY-
CAS No: 959216-64-9 Catalog No: AG005WJC MDL No:
Product Description
Catalog Number:
AG005WJC
Chemical Name:
BENZALDEHYDE, 2,5-DIFLUORO-3,4-DIHYDROXY-
CAS Number:
959216-64-9
Molecular Formula:
C7H4F2O3
Molecular Weight:
174.1017
IUPAC Name:
2,5-difluoro-3,4-dihydroxybenzaldehyde
InChI:
InChI=1S/C7H4F2O3/c8-4-1-3(2-10)5(9)7(12)6(4)11/h1-2,11-12H
InChI Key:
GXBUPZWZOZKXGO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1F)O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.103g/mol
Monoisotopic Mass:
174.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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