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80026-21-7 | 2-Bromo-4-chloro-3-methyl-1-nitrobenzene
CAS No: 80026-21-7 Catalog No: AG005DRK MDL No:MFCD23135729
Product Description
Catalog Number:
AG005DRK
Chemical Name:
2-Bromo-4-chloro-3-methyl-1-nitrobenzene
CAS Number:
80026-21-7
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD23135729
IUPAC Name:
3-bromo-1-chloro-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H5BrClNO2/c1-4-5(9)2-3-6(7(4)8)10(11)12/h2-3H,1H3
InChI Key:
NWGIVSFDNQDZOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1Br)C)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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