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Home > Bromides > 1216474-94-0
1216474-94-0 | 5-Bromo-4,6-dichloronicotinic acid
CAS No: 1216474-94-0 Catalog No: AG01F3PZ MDL No:
Product Description
Catalog Number:
AG01F3PZ
Chemical Name:
5-Bromo-4,6-dichloronicotinic acid
CAS Number:
1216474-94-0
Molecular Formula:
C6H2BrCl2NO2
Molecular Weight:
270.8956
IUPAC Name:
5-bromo-4,6-dichloropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H2BrCl2NO2/c7-3-4(8)2(6(11)12)1-10-5(3)9/h1H,(H,11,12)
InChI Key:
ILJBBWFZVMLVOV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1Cl)Br)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.865g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.891g/mol
Monoisotopic Mass:
268.865g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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