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Home > Bromides > 1240621-22-0
1240621-22-0 | 4-Oxazolecarboxylic acid, 5-bromo-2-chloro-, ethyl ester
CAS No: 1240621-22-0 Catalog No: AG000LIP MDL No:
Product Description
Catalog Number:
AG000LIP
Chemical Name:
4-Oxazolecarboxylic acid, 5-bromo-2-chloro-, ethyl ester
CAS Number:
1240621-22-0
Molecular Formula:
C6H5BrClNO3
Molecular Weight:
254.4658
IUPAC Name:
ethyl 5-bromo-2-chloro-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C6H5BrClNO3/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChI Key:
DEYVIYMVORUNKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(oc1Br)Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.914g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.464g/mol
Monoisotopic Mass:
252.914g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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