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101421-63-0 | Benzene, 1-bromo-2,3-dimethyl-4-nitro-
CAS No: 101421-63-0 Catalog No: AG0004GS MDL No:MFCD09965954
Product Description
Catalog Number:
AG0004GS
Chemical Name:
Benzene, 1-bromo-2,3-dimethyl-4-nitro-
CAS Number:
101421-63-0
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD09965954
IUPAC Name:
1-bromo-2,3-dimethyl-4-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-5-6(2)8(10(11)12)4-3-7(5)9/h3-4H,1-2H3
InChI Key:
PQSZBOYJFKZYQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)C)Br
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
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