Home Other Building Blocks Methanone, phenyl-2H-tetrazol-5-yl-

Methanone, phenyl-2H-tetrazol-5-yl-

CAS No.:
14506-41-3
Catalog Number:
AG001KJ3
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
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Product Description
Catalog Number:
AG001KJ3
Chemical Name:
Methanone, phenyl-2H-tetrazol-5-yl-
CAS Number:
14506-41-3
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD01099873
IUPAC Name:
phenyl(2H-tetrazol-5-yl)methanone
InChI:
InChI=1S/C8H6N4O/c13-7(8-9-11-12-10-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11,12)
InChI Key:
IYLAFLZKTGDJQK-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]nn1)c1ccccc1
NSC Number:
139199
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties