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1231943-08-0 | Pyrimidine, 2-chloro-5-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 1231943-08-0 Catalog No: AG000K52 MDL No:MFCD17926235
Product Description
Catalog Number:
AG000K52
Chemical Name:
Pyrimidine, 2-chloro-5-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
1231943-08-0
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
MDL Number:
MFCD17926235
IUPAC Name:
2-chloro-5-(1-methylpyrazol-4-yl)pyrimidine
InChI:
InChI=1S/C8H7ClN4/c1-13-5-7(4-12-13)6-2-10-8(9)11-3-6/h2-5H,1H3
InChI Key:
PFVONNVFQLOLEA-UHFFFAOYSA-N
SMILES:
Clc1ncc(cn1)c1cnn(c1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/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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