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Home > Bromides > 1779121-90-2
1779121-90-2 | 5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid, 3-bromo-6,7-dihydro-, ethyl ester
CAS No: 1779121-90-2 Catalog No: AG0025M0 MDL No:
Product Description
Catalog Number:
AG0025M0
Chemical Name:
5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid, 3-bromo-6,7-dihydro-, ethyl ester
CAS Number:
1779121-90-2
Molecular Formula:
C9H11BrN2O3
Molecular Weight:
275.0992
IUPAC Name:
ethyl 3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate
InChI:
InChI=1S/C9H11BrN2O3/c1-2-14-9(13)7-6(10)8-12(11-7)4-3-5-15-8/h2-5H2,1H3
InChI Key:
MTPVDOWFOIXMFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn2c(c1Br)OCCC2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.102g/mol
Monoisotopic Mass:
273.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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