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956317-35-4 | "6-chloro-2-(1,4-diazepan-1-yl)benzo[d]thiazole hydrochloride"
CAS No: 956317-35-4 Catalog No: AG01FP8T MDL No:MFCD26940470
Product Description
Catalog Number:
AG01FP8T
Chemical Name:
"6-chloro-2-(1,4-diazepan-1-yl)benzo[d]thiazole hydrochloride"
CAS Number:
956317-35-4
Molecular Formula:
C12H15Cl2N3S
Molecular Weight:
304.2386
MDL Number:
MFCD26940470
IUPAC Name:
6-chloro-2-(1,4-diazepan-1-yl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C12H14ClN3S.ClH/c13-9-2-3-10-11(8-9)17-12(15-10)16-6-1-4-14-5-7-16;/h2-3,8,14H,1,4-7H2;1H
InChI Key:
GJUWQOIVSHFKIK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)sc(n2)N1CCNCCC1.Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.233g/mol
Monoisotopic Mass:
303.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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