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131022-67-8 | Pyrimidine, 2-chloro-5-methyl-4-(2-thienyl)-
CAS No: 131022-67-8 Catalog No: AG000VC6 MDL No:MFCD13180550
Product Description
Catalog Number:
AG000VC6
Chemical Name:
Pyrimidine, 2-chloro-5-methyl-4-(2-thienyl)-
CAS Number:
131022-67-8
Molecular Formula:
C9H7ClN2S
Molecular Weight:
210.6833
MDL Number:
MFCD13180550
IUPAC Name:
2-chloro-5-methyl-4-thiophen-2-ylpyrimidine
InChI:
InChI=1S/C9H7ClN2S/c1-6-5-11-9(10)12-8(6)7-3-2-4-13-7/h2-5H,1H3
InChI Key:
LVXXKFMUNYGYFT-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)c1cccs1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.679g/mol
Monoisotopic Mass:
210.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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