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133044-63-0 | 2(3H)-Benzothiazolone, 6-[(4-chlorophenyl)hydroxymethyl]-
CAS No: 133044-63-0 Catalog No: AG0011KF MDL No:
Product Description
Catalog Number:
AG0011KF
Chemical Name:
2(3H)-Benzothiazolone, 6-[(4-chlorophenyl)hydroxymethyl]-
CAS Number:
133044-63-0
Molecular Formula:
C14H10ClNO2S
Molecular Weight:
291.7527
IUPAC Name:
6-[(4-chlorophenyl)-hydroxymethyl]-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C14H10ClNO2S/c15-10-4-1-8(2-5-10)13(17)9-3-6-11-12(7-9)19-14(18)16-11/h1-7,13,17H,(H,16,18)
InChI Key:
GHVCBDVAYIEVJJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc2c(c1)sc(=O)[nH]2)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.749g/mol
Monoisotopic Mass:
291.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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