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39785-46-1 | Naphtho[1,2-d]thiazole-2-carbonitrile (9CI)
CAS No: 39785-46-1 Catalog No: AG00CKNP MDL No:
Product Description
Catalog Number:
AG00CKNP
Chemical Name:
Naphtho[1,2-d]thiazole-2-carbonitrile (9CI)
CAS Number:
39785-46-1
Molecular Formula:
C12H6N2S
Molecular Weight:
210.2544
IUPAC Name:
benzo[e][1,3]benzothiazole-2-carbonitrile
InChI:
InChI=1S/C12H6N2S/c13-7-11-14-12-9-4-2-1-3-8(9)5-6-10(12)15-11/h1-6H
InChI Key:
UKNUROSVHCRWMU-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(n1)c1ccccc1cc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.254g/mol
Monoisotopic Mass:
210.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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