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856834-95-2 | 3-Bromo-2-chloro-6-methyl-5-nitropyridine
CAS No: 856834-95-2 Catalog No: AG0036EO MDL No:MFCD09839270
Product Description
Catalog Number:
AG0036EO
Chemical Name:
3-Bromo-2-chloro-6-methyl-5-nitropyridine
CAS Number:
856834-95-2
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
MDL Number:
MFCD09839270
IUPAC Name:
3-bromo-2-chloro-6-methyl-5-nitropyridine
InChI:
InChI=1S/C6H4BrClN2O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3
InChI Key:
WKGHUAZJNBXABN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(nc1C)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.914g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.464g/mol
Monoisotopic Mass:
249.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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