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52414-98-9 | 4-Bromo-2-methyl-1-nitrobenzene
CAS No: 52414-98-9 Catalog No: AG003MHV MDL No:MFCD00137824
Product Description
Catalog Number:
AG003MHV
Chemical Name:
4-Bromo-2-methyl-1-nitrobenzene
CAS Number:
52414-98-9
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00137824
IUPAC Name:
4-bromo-2-methyl-1-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChI Key:
PAHAIHXVVJMZKU-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)[N+](=O)[O-]
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:
3.5
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