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1420820-79-6 | 2-Benzothiazolamine, 5-nitro-N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS No: 1420820-79-6 Catalog No: AG001HQO MDL No:
Product Description
Catalog Number:
AG001HQO
Chemical Name:
2-Benzothiazolamine, 5-nitro-N-3-pyrrolidinyl-, hydrochloride (1:1)
CAS Number:
1420820-79-6
Molecular Formula:
C11H13ClN4O2S
Molecular Weight:
300.7645
IUPAC Name:
5-nitro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine;hydrochloride
InChI:
InChI=1S/C11H12N4O2S.ClH/c16-15(17)8-1-2-10-9(5-8)14-11(18-10)13-7-3-4-12-6-7;/h1-2,5,7,12H,3-4,6H2,(H,13,14);1H
InChI Key:
DBPPNLQDTPJKMM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(s2)NC1CNCC1.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.761g/mol
Monoisotopic Mass:
300.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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