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857641-46-4 | 2-(4-Bromo-1H-pyrazol-1-yl);pyrimidine
CAS No: 857641-46-4 Catalog No: AG004Y7O MDL No:MFCD09834926
Product Description
Catalog Number:
AG004Y7O
Chemical Name:
2-(4-Bromo-1H-pyrazol-1-yl);pyrimidine
CAS Number:
857641-46-4
Molecular Formula:
C7H5BrN4
Molecular Weight:
225.0454
MDL Number:
MFCD09834926
IUPAC Name:
2-(4-bromopyrazol-1-yl)pyrimidine
InChI:
InChI=1S/C7H5BrN4/c8-6-4-11-12(5-6)7-9-2-1-3-10-7/h1-5H
InChI Key:
OLHCXNGGKICQLL-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ncccn1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.049g/mol
Monoisotopic Mass:
223.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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