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Home > Bromides > 1005209-40-4
1005209-40-4 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 6-bromo-, methyl ester
CAS No: 1005209-40-4 Catalog No: AG00028T MDL No:MFCD16890139
Product Description
Catalog Number:
AG00028T
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 6-bromo-, methyl ester
CAS Number:
1005209-40-4
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD16890139
IUPAC Name:
methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)6-2-7-10-3-5(9)4-12(7)11-6/h2-4H,1H3
InChI Key:
QWQDSBMSESLQEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2n(n1)cc(cn2)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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