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3048-46-2 | Benzothiazole, 4-methoxy-
CAS No: 3048-46-2 Catalog No: AG00309Q MDL No:MFCD16877170
Product Description
Catalog Number:
AG00309Q
Chemical Name:
Benzothiazole, 4-methoxy-
CAS Number:
3048-46-2
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD16877170
IUPAC Name:
4-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C8H7NOS/c1-10-6-3-2-4-7-8(6)9-5-11-7/h2-5H,1H3
InChI Key:
XQPAPBLJJLIQGV-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ncs2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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