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132372-75-9 | 1H-TETRAZOLE, 5-[(4-METHOXYPHENYL)METHYL]-
CAS No: 132372-75-9 Catalog No: AG0010M4 MDL No:MFCD01455831
Product Description
Catalog Number:
AG0010M4
Chemical Name:
1H-TETRAZOLE, 5-[(4-METHOXYPHENYL)METHYL]-
CAS Number:
132372-75-9
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD01455831
IUPAC Name:
5-[(4-methoxyphenyl)methyl]-2H-tetrazole
InChI:
InChI=1S/C9H10N4O/c1-14-8-4-2-7(3-5-8)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChI Key:
IWWXWEYVLHRYML-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1n[nH]nn1
Properties
Complexity:
170
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:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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