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937602-40-9 | Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CAS No: 937602-40-9 Catalog No: AG00H5LF MDL No:MFCD03421568
Product Description
Catalog Number:
AG00H5LF
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CAS Number:
937602-40-9
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
MDL Number:
MFCD03421568
IUPAC Name:
pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
InChI:
InChI=1S/C7H4ClN3O/c8-6(12)5-4-10-11-3-1-2-9-7(5)11/h1-4H
InChI Key:
HNOBXHOOORODQT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnn2c1nccc2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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