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1363383-08-7 | 3-Thiophenemethanol, 5-chloro-α-methyl-
CAS No: 1363383-08-7 Catalog No: AG0011QM MDL No:MFCD20926160
Product Description
Catalog Number:
AG0011QM
Chemical Name:
3-Thiophenemethanol, 5-chloro-α-methyl-
CAS Number:
1363383-08-7
Molecular Formula:
C6H7ClOS
Molecular Weight:
162.6372
MDL Number:
MFCD20926160
IUPAC Name:
1-(5-chlorothiophen-3-yl)ethanol
InChI:
InChI=1S/C6H7ClOS/c1-4(8)5-2-6(7)9-3-5/h2-4,8H,1H3
InChI Key:
XROBASKSBLIYFH-UHFFFAOYSA-N
SMILES:
Clc1scc(c1)C(O)C
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.991g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.631g/mol
Monoisotopic Mass:
161.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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