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85684-61-3 | 3-(Difluoromethoxy)benzaldehyde
CAS No: 85684-61-3 Catalog No: AG00365E MDL No:MFCD00236222
Product Description
Catalog Number:
AG00365E
Chemical Name:
3-(Difluoromethoxy)benzaldehyde
CAS Number:
85684-61-3
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00236222
IUPAC Name:
3-(difluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-5,8H
InChI Key:
HFIUSWPRDIPIPN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OC(F)F
Properties
Complexity:
150
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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