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Home > Bromides > 1138513-35-5
1138513-35-5 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-7-chloro-, ethyl ester
CAS No: 1138513-35-5 Catalog No: AG0009XB MDL No:MFCD12755225
Product Description
Catalog Number:
AG0009XB
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-bromo-7-chloro-, ethyl ester
CAS Number:
1138513-35-5
Molecular Formula:
C9H7BrClN3O2
Molecular Weight:
304.5278
MDL Number:
MFCD12755225
IUPAC Name:
ethyl 3-bromo-7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H7BrClN3O2/c1-2-16-9(15)5-3-12-8-6(10)4-13-14(8)7(5)11/h3-4H,2H2,1H3
InChI Key:
URAQTZBKDVRUNN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1Cl)ncc2Br
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.528g/mol
Monoisotopic Mass:
302.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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