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3048-45-1 | Benzothiazole, 4-chloro-
CAS No: 3048-45-1 Catalog No: AG00309R MDL No:MFCD11040158
Product Description
Catalog Number:
AG00309R
Chemical Name:
Benzothiazole, 4-chloro-
CAS Number:
3048-45-1
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD11040158
IUPAC Name:
4-chloro-1,3-benzothiazole
InChI:
InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChI Key:
IFEPGHPDQJOYGG-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1ncs2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.626g/mol
Monoisotopic Mass:
168.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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