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131981-75-4 | Benzene, 1-bromo-4-[(1E)-2-nitro-1-propen-1-yl]-
CAS No: 131981-75-4 Catalog No: AG001007 MDL No:MFCD01317591
Product Description
Catalog Number:
AG001007
Chemical Name:
Benzene, 1-bromo-4-[(1E)-2-nitro-1-propen-1-yl]-
CAS Number:
131981-75-4
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD01317591
IUPAC Name:
1-bromo-4-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C9H8BrNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6+
InChI Key:
YHCYQNXJXRRFFM-VOTSOKGWSA-N
SMILES:
C/C(=C\c1ccc(cc1)Br)/[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. | European journal of medicinal chemistry 20101201 |
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