Home Halogens methyl 2-bromo-3-methylisonicotinate

methyl 2-bromo-3-methylisonicotinate

CAS No.:
1227580-45-1
Catalog Number:
AG01DD0K
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG01DD0K
Chemical Name:
methyl 2-bromo-3-methylisonicotinate
CAS Number:
1227580-45-1
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD16611589
IUPAC Name:
methyl 2-bromo-3-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3
InChI Key:
HAWBNXBTBONFHV-UHFFFAOYSA-N
SMILES:
Cc1c(ccnc1Br)C(=O)OC
Properties
Complexity:
174  
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:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties