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1214374-01-2

1214374-01-2 | 4-Pyridinecarboxylic acid, 2-amino-5-bromo-, ethyl ester

CAS No: 1214374-01-2 Catalog No: AG0014XC MDL No:MFCD13182436

Product Description

Catalog Number:
AG0014XC
Chemical Name:
4-Pyridinecarboxylic acid, 2-amino-5-bromo-, ethyl ester
CAS Number:
1214374-01-2
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD13182436
IUPAC Name:
ethyl 2-amino-5-bromopyridine-4-carboxylate
InChI:
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)5-3-7(10)11-4-6(5)9/h3-4H,2H2,1H3,(H2,10,11)
InChI Key:
FNSPCNYWTZSYEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)ncc1Br

Properties

Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.076g/mol
Monoisotopic Mass:
243.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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