Home Halogens 2-chloro-4-(1H-imidazol-1-yl)pyrimidine

2-chloro-4-(1H-imidazol-1-yl)pyrimidine

CAS No.:
114834-03-6
Catalog Number:
AG01DTCI
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
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Product Description
Catalog Number:
AG01DTCI
Chemical Name:
2-chloro-4-(1H-imidazol-1-yl)pyrimidine
CAS Number:
114834-03-6
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
MDL Number:
MFCD09756941
IUPAC Name:
2-chloro-4-imidazol-1-ylpyrimidine
InChI:
InChI=1S/C7H5ClN4/c8-7-10-2-1-6(11-7)12-4-3-9-5-12/h1-5H
InChI Key:
AJNAMVHKXSFJFJ-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)n1cncc1
Properties
Complexity:
154  
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:
1.2  
Properties