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Home > Bromides > 1394004-05-7
1394004-05-7 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-bromo-, ethyl ester
CAS No: 1394004-05-7 Catalog No: AG001AYA MDL No:MFCD22543890
Product Description
Catalog Number:
AG001AYA
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-bromo-, ethyl ester
CAS Number:
1394004-05-7
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD22543890
IUPAC Name:
ethyl 3-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-6(10)8-11-4-3-5-13(8)12-7/h3-5H,2H2,1H3
InChI Key:
DRAZMOLVMHCZCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn2c(c1Br)nccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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