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Home > Aldehydes > 887267-04-1
887267-04-1 | 3,6-Difluoro-2-methoxybenzaldehyde
CAS No: 887267-04-1 Catalog No: AG00891X MDL No:MFCD08275289
Product Description
Catalog Number:
AG00891X
Chemical Name:
3,6-Difluoro-2-methoxybenzaldehyde
CAS Number:
887267-04-1
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD08275289
IUPAC Name:
3,6-difluoro-2-methoxybenzaldehyde
InChI:
InChI=1S/C8H6F2O2/c1-12-8-5(4-11)6(9)2-3-7(8)10/h2-4H,1H3
InChI Key:
CRIGYCXILOWIKP-UHFFFAOYSA-N
SMILES:
O=Cc1c(F)ccc(c1OC)F
Properties
Complexity:
163
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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