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1135439-05-2 | Piperazine, 1-[(2-chloro-5-thiazolyl)methyl]-
CAS No: 1135439-05-2 Catalog No: AG0008Y6 MDL No:
Product Description
Catalog Number:
AG0008Y6
Chemical Name:
Piperazine, 1-[(2-chloro-5-thiazolyl)methyl]-
CAS Number:
1135439-05-2
Molecular Formula:
C8H12ClN3S
Molecular Weight:
217.7190
IUPAC Name:
2-chloro-5-(piperazin-1-ylmethyl)-1,3-thiazole
InChI:
InChI=1S/C8H12ClN3S/c9-8-11-5-7(13-8)6-12-3-1-10-2-4-12/h5,10H,1-4,6H2
InChI Key:
WHEZTGGFMJRPIH-UHFFFAOYSA-N
SMILES:
Clc1ncc(s1)CN1CCNCC1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.715g/mol
Monoisotopic Mass:
217.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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