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393184-78-6

393184-78-6 | 5-Bromo-2-ethoxynicotinic acid

CAS No: 393184-78-6 Catalog No: AG00BZIC MDL No:MFCD09836166

Product Description

Catalog Number:
AG00BZIC
Chemical Name:
5-Bromo-2-ethoxynicotinic acid
CAS Number:
393184-78-6
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD09836166
IUPAC Name:
5-bromo-2-ethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8BrNO3/c1-2-13-7-6(8(11)12)3-5(9)4-10-7/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
WWLDXHCDXKRRTC-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1C(=O)O)Br

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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