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84761-78-4 | Benzaldehyde, 4-[(difluoromethyl)sulfonyl]-
CAS No: 84761-78-4 Catalog No: AG004YA9 MDL No:
Product Description
Catalog Number:
AG004YA9
Chemical Name:
Benzaldehyde, 4-[(difluoromethyl)sulfonyl]-
CAS Number:
84761-78-4
Molecular Formula:
C8H6F2O3S
Molecular Weight:
220.1932
IUPAC Name:
4-(difluoromethylsulfonyl)benzaldehyde
InChI:
InChI=1S/C8H6F2O3S/c9-8(10)14(12,13)7-3-1-6(5-11)2-4-7/h1-5,8H
InChI Key:
PAOAPNUZZUCWCX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)(=O)C(F)F
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.19g/mol
Monoisotopic Mass:
220.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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