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Home > Nitro Compounds > 303988-28-5
303988-28-5 | 3-nitro-4-(phenylsulfanyl)-N-(prop-2-en-1-yl)benzamide
CAS No: 303988-28-5 Catalog No: AG00INO6 MDL No:MFCD01569110
Product Description
Catalog Number:
AG00INO6
Chemical Name:
3-nitro-4-(phenylsulfanyl)-N-(prop-2-en-1-yl)benzamide
CAS Number:
303988-28-5
Molecular Formula:
C16H14N2O3S
Molecular Weight:
314.3590
MDL Number:
MFCD01569110
IUPAC Name:
3-nitro-4-phenylsulfanyl-N-prop-2-enylbenzamide
InChI:
InChI=1S/C16H14N2O3S/c1-2-10-17-16(19)12-8-9-15(14(11-12)18(20)21)22-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,17,19)
InChI Key:
YMHZSNFUTMPVJO-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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