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119192-12-0 | Phenol, 4-(2H-tetrazol-5-ylmethyl)-
CAS No: 119192-12-0 Catalog No: AG000IB4 MDL No:
Product Description
Catalog Number:
AG000IB4
Chemical Name:
Phenol, 4-(2H-tetrazol-5-ylmethyl)-
CAS Number:
119192-12-0
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
IUPAC Name:
4-(2H-tetrazol-5-ylmethyl)phenol
InChI:
InChI=1S/C8H8N4O/c13-7-3-1-6(2-4-7)5-8-9-11-12-10-8/h1-4,13H,5H2,(H,9,10,11,12)
InChI Key:
MEEDVZNIMBGRPZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1n[nH]nn1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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