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86979-36-4 | 2H-Tetrazole-2-methanol, 5-(phenylmethyl)-
CAS No: 86979-36-4 Catalog No: AG004NXE MDL No:
Product Description
Catalog Number:
AG004NXE
Chemical Name:
2H-Tetrazole-2-methanol, 5-(phenylmethyl)-
CAS Number:
86979-36-4
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
IUPAC Name:
(5-benzyltetrazol-2-yl)methanol
InChI:
InChI=1S/C9H10N4O/c14-7-13-11-9(10-12-13)6-8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChI Key:
KCLCIVNYHZMXJW-UHFFFAOYSA-N
SMILES:
OCn1nnc(n1)Cc1ccccc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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