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114040-06-1 | 3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
CAS No: 114040-06-1 Catalog No: AG000ADN MDL No:MFCD11112133
Product Description
Catalog Number:
AG000ADN
Chemical Name:
3-Bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
CAS Number:
114040-06-1
Molecular Formula:
C6H2BrCl2N3
Molecular Weight:
266.9102
MDL Number:
MFCD11112133
IUPAC Name:
3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
InChI Key:
CJIKMWXLGRVJMI-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)n2c(n1)c(Br)cn2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.881g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.907g/mol
Monoisotopic Mass:
264.881g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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