Home Nitros 1-Bromo-2,5-dimethyl-4-nitro-benzene

1-Bromo-2,5-dimethyl-4-nitro-benzene

CAS No.:
15540-81-5
Catalog Number:
AG001NW2
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG001NW2
Chemical Name:
1-Bromo-2,5-dimethyl-4-nitro-benzene
CAS Number:
15540-81-5
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD01463298
IUPAC Name:
1-bromo-2,5-dimethyl-4-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,1-2H3
InChI Key:
LGWQRRHGAQXGGS-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1Br)C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties