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73960-07-3 | 4-(Difluoromethoxy)benzaldehyde
CAS No: 73960-07-3 Catalog No: AG003K7E MDL No:MFCD00042252
Product Description
Catalog Number:
AG003K7E
Chemical Name:
4-(Difluoromethoxy)benzaldehyde
CAS Number:
73960-07-3
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00042252
IUPAC Name:
4-(difluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H
InChI Key:
ZWCXOJYJJINQGU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC(F)F
EC Number:
277-653-5
Properties
Complexity:
142
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:
2.7
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