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1379317-23-3 | 2-(5-Chloro-2-thienyl)-3-methyl-butan-2-ol
CAS No: 1379317-23-3 Catalog No: AG01FB9Q MDL No:
Product Description
Catalog Number:
AG01FB9Q
Chemical Name:
2-(5-Chloro-2-thienyl)-3-methyl-butan-2-ol
CAS Number:
1379317-23-3
Molecular Formula:
C9H13ClOS
Molecular Weight:
204.7169
IUPAC Name:
2-(5-chlorothiophen-2-yl)-3-methylbutan-2-ol
InChI:
InChI=1S/C9H13ClOS/c1-6(2)9(3,11)7-4-5-8(10)12-7/h4-6,11H,1-3H3
InChI Key:
DDQMHXDGCMBBCM-UHFFFAOYSA-N
SMILES:
CC(C(c1ccc(s1)Cl)(O)C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.712g/mol
Monoisotopic Mass:
204.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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