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10095-91-7 | Thiophene, 2,5-dichloro-3-(chloromethyl)-
CAS No: 10095-91-7 Catalog No: AG0003A9 MDL No:MFCD18431770
Product Description
Catalog Number:
AG0003A9
Chemical Name:
Thiophene, 2,5-dichloro-3-(chloromethyl)-
CAS Number:
10095-91-7
Molecular Formula:
C5H3Cl3S
Molecular Weight:
201.5013
MDL Number:
MFCD18431770
IUPAC Name:
2,5-dichloro-3-(chloromethyl)thiophene
InChI:
InChI=1S/C5H3Cl3S/c6-2-3-1-4(7)9-5(3)8/h1H,2H2
InChI Key:
WXHFSFYPTBVADG-UHFFFAOYSA-N
SMILES:
ClCc1cc(sc1Cl)Cl
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.902g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.489g/mol
Monoisotopic Mass:
199.902g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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