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2092361-66-3 | 6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CAS No: 2092361-66-3 Catalog No: AG01BTR6 MDL No:MFCD30750015
Product Description
Catalog Number:
AG01BTR6
Chemical Name:
6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CAS Number:
2092361-66-3
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD30750015
IUPAC Name:
6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8-6(4-13)7-10-2-5(9)3-12(7)11-8/h2-4H,1H3
InChI Key:
NMQFSRQJDICNIB-UHFFFAOYSA-N
SMILES:
COc1nn2c(c1C=O)ncc(c2)Br
Properties
Complexity:
229
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:
0.8
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