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114834-02-5 | Pyrimidine, 4-chloro-6-(1H-imidazol-1-yl)-
CAS No: 114834-02-5 Catalog No: AG000FBN MDL No:MFCD01631197
Product Description
Catalog Number:
AG000FBN
Chemical Name:
Pyrimidine, 4-chloro-6-(1H-imidazol-1-yl)-
CAS Number:
114834-02-5
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
MDL Number:
MFCD01631197
IUPAC Name:
4-chloro-6-imidazol-1-ylpyrimidine
InChI:
InChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H
InChI Key:
BOBHIPMYQAROLL-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1)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
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