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5326-34-1 | 1-Bromo-4-methyl-2-nitrobenzene
CAS No: 5326-34-1 Catalog No: AG003KYL MDL No:MFCD00024180
Product Description
Catalog Number:
AG003KYL
Chemical Name:
1-Bromo-4-methyl-2-nitrobenzene
CAS Number:
5326-34-1
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00024180
IUPAC Name:
1-bromo-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI Key:
UPBUTKQMDPHQAQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])Br
EC Number:
226-203-6
NSC Number:
289
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 1-Bromo-4-methyl-2-nitro-benzene. | Acta crystallographica. Section E, Structure reports online 20111001 |
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