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Home > Other Building Blocks > 98414-56-3
98414-56-3 | 1,3-Bis(1H-1,2,4-triazol-1-yl)-2-propanone
CAS No: 98414-56-3 Catalog No: AG01FO0V MDL No:
Product Description
Catalog Number:
AG01FO0V
Chemical Name:
1,3-Bis(1H-1,2,4-triazol-1-yl)-2-propanone
CAS Number:
98414-56-3
IUPAC Name:
1,3-bis(1,2,4-triazol-1-yl)propan-2-one
InChI:
InChI=1S/C7H8N6O/c14-7(1-12-5-8-3-10-12)2-13-6-9-4-11-13/h3-6H,1-2H2
InChI Key:
KQQIIJSWEPRYPF-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.182g/mol
Monoisotopic Mass:
192.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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