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89978-52-9

89978-52-9 | Ethyl 2-Bromoisonicotinate

CAS No: 89978-52-9 Catalog No: AG0038JZ MDL No:MFCD06205252

Product Description

Catalog Number:
AG0038JZ
Chemical Name:
Ethyl 2-Bromoisonicotinate
CAS Number:
89978-52-9
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD06205252
IUPAC Name:
ethyl 2-bromopyridine-4-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
InChI Key:
SBNQZJXLQLUESH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)Br

Properties

Complexity:
163  
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:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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