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Home > Nitro Compounds > 303988-30-9
303988-30-9 | N-tert-butyl-3-nitro-4-(phenylsulfanyl)benzamide
CAS No: 303988-30-9 Catalog No: AG00INO7 MDL No:MFCD01569112
Product Description
Catalog Number:
AG00INO7
Chemical Name:
N-tert-butyl-3-nitro-4-(phenylsulfanyl)benzamide
CAS Number:
303988-30-9
Molecular Formula:
C17H18N2O3S
Molecular Weight:
330.4014
MDL Number:
MFCD01569112
IUPAC Name:
N-tert-butyl-3-nitro-4-phenylsulfanylbenzamide
InChI:
InChI=1S/C17H18N2O3S/c1-17(2,3)18-16(20)12-9-10-15(14(11-12)19(21)22)23-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,20)
InChI Key:
HQMUXLRASKQXRC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1ccccc1)C(=O)NC(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.402g/mol
Monoisotopic Mass:
330.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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