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213771-32-5

213771-32-5 | Methyl 5-bromo-3-methylpicolinate

CAS No: 213771-32-5 Catalog No: AG00386V MDL No:MFCD07375126

Product Description

Catalog Number:
AG00386V
Chemical Name:
Methyl 5-bromo-3-methylpicolinate
CAS Number:
213771-32-5
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD07375126
IUPAC Name:
methyl 5-bromo-3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:
KZPOANNAYCXMSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1C)Br

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  

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