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1216378-82-3

1216378-82-3 | 2-(2-Aziridin-1-ylethoxy)-5-bromonicotinic acid

CAS No: 1216378-82-3 Catalog No: AG01F9QW MDL No:

Product Description

Catalog Number:
AG01F9QW
Chemical Name:
2-(2-Aziridin-1-ylethoxy)-5-bromonicotinic acid
CAS Number:
1216378-82-3
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
IUPAC Name:
2-[2-(aziridin-1-yl)ethoxy]-5-bromopyridine-3-carboxylic acid
InChI:
InChI=1S/C10H11BrN2O3/c11-7-5-8(10(14)15)9(12-6-7)16-4-3-13-1-2-13/h5-6H,1-4H2,(H,14,15)
InChI Key:
OYPPYIHORKNPJL-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)C(=O)O)OCCN1CC1

Properties

Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.113g/mol
Monoisotopic Mass:
285.995g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

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