Home Halogens 4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine

4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:
1248709-15-0
Catalog Number:
AG00HHTL
Molecular Formula:
C7H7ClN4
Molecular Weight:
182.6103
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Product Description
Catalog Number:
AG00HHTL
Chemical Name:
4-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
1248709-15-0
Molecular Formula:
C7H7ClN4
Molecular Weight:
182.6103
MDL Number:
MFCD14620004
IUPAC Name:
4-chloro-1-ethylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C7H7ClN4/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3
InChI Key:
PKYBLHLCAXANOJ-UHFFFAOYSA-N
SMILES:
CCn1ncc2c1ncnc2Cl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.611g/mol
Monoisotopic Mass:
182.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties