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190430-36-5 | 1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-methoxy-
CAS No: 190430-36-5 Catalog No: AG002EKC MDL No:MFCD27995010
Product Description
Catalog Number:
AG002EKC
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-methoxy-
CAS Number:
190430-36-5
Molecular Formula:
C6H5BrN4O
Molecular Weight:
229.0341
MDL Number:
MFCD27995010
IUPAC Name:
3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C6H5BrN4O/c1-12-6-3-4(7)10-11-5(3)8-2-9-6/h2H,1H3,(H,8,9,10,11)
InChI Key:
WIGPGRHAXNIUJM-UHFFFAOYSA-N
SMILES:
COc1ncnc2c1c(Br)n[nH]2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.037g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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