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Home > Nitro Compounds > 36325-72-1
36325-72-1 | 2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
CAS No: 36325-72-1 Catalog No: AG00JHFM MDL No:MFCD02853046
Product Description
Catalog Number:
AG00JHFM
Chemical Name:
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-nitrophenol
CAS Number:
36325-72-1
Molecular Formula:
C13H10N4O3
Molecular Weight:
270.2435
MDL Number:
MFCD02853046
IUPAC Name:
2-(benzotriazol-2-yl)-4-methyl-6-nitrophenol
InChI:
InChI=1S/C13H10N4O3/c1-8-6-11(13(18)12(7-8)17(19)20)16-14-9-4-2-3-5-10(9)15-16/h2-7,18H,1H3
InChI Key:
SFTUROBOXVSXCX-UHFFFAOYSA-N
SMILES:
Cc1cc(n2nc3c(n2)cccc3)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.248g/mol
Monoisotopic Mass:
270.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| 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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