Home Halogens 3-Bromo-7-chloro-6-ethyl-5-methyl-pyrazolo[1,5-a]pyrimidine

3-Bromo-7-chloro-6-ethyl-5-methyl-pyrazolo[1,5-a]pyrimidine

CAS No.:
885720-87-6
Catalog Number:
AG00IF7O
Molecular Formula:
C9H9BrClN3
Molecular Weight:
274.5449
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Product Description
Catalog Number:
AG00IF7O
Chemical Name:
3-Bromo-7-chloro-6-ethyl-5-methyl-pyrazolo[1,5-a]pyrimidine
CAS Number:
885720-87-6
Molecular Formula:
C9H9BrClN3
Molecular Weight:
274.5449
MDL Number:
MFCD22690729
IUPAC Name:
3-bromo-7-chloro-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C9H9BrClN3/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3H2,1-2H3
InChI Key:
NDSGMGQUNZXDTA-UHFFFAOYSA-N
SMILES:
CCc1c(C)nc2n(c1Cl)ncc2Br
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.967g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.546g/mol
Monoisotopic Mass:
272.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties