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654-11-5 | 3,5-Difluoro-4-methoxybenzaldehyde
CAS No: 654-11-5 Catalog No: AG003IMJ MDL No:MFCD04115911
Product Description
Catalog Number:
AG003IMJ
Chemical Name:
3,5-Difluoro-4-methoxybenzaldehyde
CAS Number:
654-11-5
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD04115911
IUPAC Name:
3,5-difluoro-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6F2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChI Key:
KBSLGHDKSCGXKQ-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1F)C=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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