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Home > Nitro Compounds > 861211-23-6
861211-23-6 | 4-nitro-N-{2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CAS No: 861211-23-6 Catalog No: AG00IP7U MDL No:MFCD04124985
Product Description
Catalog Number:
AG00IP7U
Chemical Name:
4-nitro-N-{2-[2-(pyridin-2-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CAS Number:
861211-23-6
Molecular Formula:
C17H14N4O3S
Molecular Weight:
354.3831
MDL Number:
MFCD04124985
IUPAC Name:
4-nitro-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
InChI:
InChI=1S/C17H14N4O3S/c22-16(12-4-6-14(7-5-12)21(23)24)19-10-8-13-11-25-17(20-13)15-3-1-2-9-18-15/h1-7,9,11H,8,10H2,(H,19,22)
InChI Key:
HIGWEJUQKYJRDD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])NCCc1csc(n1)c1ccccn1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.384g/mol
Monoisotopic Mass:
354.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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