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127842-54-0 | Benzaldehyde, 3,4-bis(difluoromethoxy)-
CAS No: 127842-54-0 Catalog No: AG000XG5 MDL No:MFCD08706075
Product Description
Catalog Number:
AG000XG5
Chemical Name:
Benzaldehyde, 3,4-bis(difluoromethoxy)-
CAS Number:
127842-54-0
Molecular Formula:
C9H6F4O3
Molecular Weight:
238.1358
MDL Number:
MFCD08706075
IUPAC Name:
3,4-bis(difluoromethoxy)benzaldehyde
InChI:
InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)3-7(6)16-9(12)13/h1-4,8-9H
InChI Key:
IPHURZAZBKLMQJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OC(F)F)OC(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.138g/mol
Monoisotopic Mass:
238.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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