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1351597-37-9 | 6-Nitro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine hydrobromide
CAS No: 1351597-37-9 Catalog No: AG01FN5F MDL No:MFCD22587729
Product Description
Catalog Number:
AG01FN5F
Chemical Name:
6-Nitro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine hydrobromide
CAS Number:
1351597-37-9
Molecular Formula:
C10H8BrN3O2S
Molecular Weight:
314.1584
MDL Number:
MFCD22587729
IUPAC Name:
6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
InChI:
InChI=1S/C10H7N3O2S.BrH/c1-2-5-12-8-4-3-7(13(14)15)6-9(8)16-10(12)11;/h1,3-4,6,11H,5H2;1H
InChI Key:
IJYWNBYLPBSTRP-UHFFFAOYSA-N
SMILES:
C#CCn1c(=N)sc2c1ccc(c2)[N+](=O)[O-].Br
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.952g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.157g/mol
Monoisotopic Mass:
312.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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