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99971-87-6 | (2,5-Dichlorothiophen-3-yl)(phenyl)methanone
CAS No: 99971-87-6 Catalog No: AG003VTV MDL No:
Product Description
Catalog Number:
AG003VTV
Chemical Name:
(2,5-Dichlorothiophen-3-yl)(phenyl)methanone
CAS Number:
99971-87-6
Molecular Formula:
C11H6Cl2OS
Molecular Weight:
257.1357
IUPAC Name:
(2,5-dichlorothiophen-3-yl)-phenylmethanone
InChI:
InChI=1S/C11H6Cl2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6H
InChI Key:
NYTHKVNYZJTUCT-UHFFFAOYSA-N
SMILES:
Clc1sc(c(c1)C(=O)c1ccccc1)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.952g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.128g/mol
Monoisotopic Mass:
255.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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