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383143-80-4 | 6-Benzothiazolecarbonitrile,2-(1H-pyrrol-1-yl)-(9CI)
CAS No: 383143-80-4 Catalog No: AG00CPKH MDL No:
Product Description
Catalog Number:
AG00CPKH
Chemical Name:
6-Benzothiazolecarbonitrile,2-(1H-pyrrol-1-yl)-(9CI)
CAS Number:
383143-80-4
IUPAC Name:
2-pyrrol-1-yl-1,3-benzothiazole-6-carbonitrile
InChI:
InChI=1S/C12H7N3S/c13-8-9-3-4-10-11(7-9)16-12(14-10)15-5-1-2-6-15/h1-7H
InChI Key:
VQYGXOVHIGXMJW-UHFFFAOYSA-N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.269g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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