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78291-25-5 | Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]-
CAS No: 78291-25-5 Catalog No: AG005C0H MDL No:
Product Description
Catalog Number:
AG005C0H
Chemical Name:
Ethanol,2-[(5-nitro-2-benzothiazolyl)amino]-
CAS Number:
78291-25-5
Molecular Formula:
C9H9N3O3S
Molecular Weight:
239.2511
IUPAC Name:
2-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethanol
InChI:
InChI=1S/C9H9N3O3S/c13-4-3-10-9-11-7-5-6(12(14)15)1-2-8(7)16-9/h1-2,5,13H,3-4H2,(H,10,11)
InChI Key:
ZIOCRCDLXZNNCB-UHFFFAOYSA-N
SMILES:
OCCNc1nc2c(s1)ccc(c2)[N+](=O)[O-]
EC Number:
278-891-2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.249g/mol
Monoisotopic Mass:
239.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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