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59786-31-1

59786-31-1 | Methyl 3-bromoisonicotinate

CAS No: 59786-31-1 Catalog No: AG0038LR MDL No:MFCD03788226

Product Description

Catalog Number:
AG0038LR
Chemical Name:
Methyl 3-bromoisonicotinate
CAS Number:
59786-31-1
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD03788226
IUPAC Name:
methyl 3-bromopyridine-4-carboxylate
InChI:
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChI Key:
FASOJOLGUAUEPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1Br

Properties

Complexity:
151  
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:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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