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132640-22-3 | Benzamide, 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-
CAS No: 132640-22-3 Catalog No: AG0010X9 MDL No:
Product Description
Catalog Number:
AG0010X9
Chemical Name:
Benzamide, 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-
CAS Number:
132640-22-3
Molecular Formula:
C15H11N9O
Molecular Weight:
333.3075
IUPAC Name:
4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
InChI:
InChI=1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24)
InChI Key:
VXEBMQZDPONDFB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)c1n[nH]nn1)Nc1ccc(cc1)c1n[nH]nn1
UNII:
6513M33209
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.109g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.315g/mol
Monoisotopic Mass:
333.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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