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957035-29-9 | 4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine
CAS No: 957035-29-9 Catalog No: AG003K2A MDL No:MFCD09475880
Product Description
Catalog Number:
AG003K2A
Chemical Name:
4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine
CAS Number:
957035-29-9
Molecular Formula:
C7H4BrClN4
Molecular Weight:
259.4905
MDL Number:
MFCD09475880
IUPAC Name:
4-(4-bromopyrazol-1-yl)-6-chloropyrimidine
InChI:
InChI=1S/C7H4BrClN4/c8-5-2-12-13(3-5)7-1-6(9)10-4-11-7/h1-4H
InChI Key:
BFFRQSAFKUZCTO-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ncnc(c1)Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.931g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.491g/mol
Monoisotopic Mass:
257.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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