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Home > Nitro Compounds > 1072069-62-5
1072069-62-5 | 2-Cyano-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CAS No: 1072069-62-5 Catalog No: AG01F8XD MDL No:
Product Description
Catalog Number:
AG01F8XD
Chemical Name:
2-Cyano-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CAS Number:
1072069-62-5
Molecular Formula:
C10H6N4O3S
Molecular Weight:
262.2446
IUPAC Name:
2-cyano-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C10H6N4O3S/c11-4-3-9(15)13-10-12-7-5-6(14(16)17)1-2-8(7)18-10/h1-2,5H,3H2,(H,12,13,15)
InChI Key:
AOGHYXZFPZJPHE-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1nc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.243g/mol
Monoisotopic Mass:
262.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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