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1194374-60-1 | PyriMidine, 2-chloro-5-(1H-pyrazol-1-yl)-
CAS No: 1194374-60-1 Catalog No: AG000IR8 MDL No:
Product Description
Catalog Number:
AG000IR8
Chemical Name:
PyriMidine, 2-chloro-5-(1H-pyrazol-1-yl)-
CAS Number:
1194374-60-1
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
IUPAC Name:
2-chloro-5-pyrazol-1-ylpyrimidine
InChI:
InChI=1S/C7H5ClN4/c8-7-9-4-6(5-10-7)12-3-1-2-11-12/h1-5H
InChI Key:
VEVKPPTXSDWSTJ-UHFFFAOYSA-N
SMILES:
Clc1ncc(cn1)n1cccn1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.595g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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