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305851-13-2 | N-[4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,3-thiazol-2-yl]formamide
CAS No: 305851-13-2 Catalog No: AG01F5LA MDL No:
Product Description
Catalog Number:
AG01F5LA
Chemical Name:
N-[4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,3-thiazol-2-yl]formamide
CAS Number:
305851-13-2
Molecular Formula:
C11H9N5OS
Molecular Weight:
259.2871
IUPAC Name:
N-[4-(benzotriazol-1-ylmethyl)-1,3-thiazol-2-yl]formamide
InChI:
InChI=1S/C11H9N5OS/c17-7-12-11-13-8(6-18-11)5-16-10-4-2-1-3-9(10)14-15-16/h1-4,6-7H,5H2,(H,12,13,17)
InChI Key:
IPAYLOMMECGMMT-UHFFFAOYSA-N
SMILES:
O=CNc1scc(n1)Cn1nnc2c1cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.287g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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