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1261233-63-9 | 1-Piperazinecarboxylic acid, 4-(6-chloro-3-pyridazinyl)-2-methyl-, 1,1-dimethylethyl ester
CAS No: 1261233-63-9 Catalog No: AG000ROG MDL No:
Product Description
Catalog Number:
AG000ROG
Chemical Name:
1-Piperazinecarboxylic acid, 4-(6-chloro-3-pyridazinyl)-2-methyl-, 1,1-dimethylethyl ester
CAS Number:
1261233-63-9
Molecular Formula:
C14H21ClN4O2
Molecular Weight:
312.7951
IUPAC Name:
tert-butyl 4-(6-chloropyridazin-3-yl)-2-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C14H21ClN4O2/c1-10-9-18(12-6-5-11(15)16-17-12)7-8-19(10)13(20)21-14(2,3)4/h5-6,10H,7-9H2,1-4H3
InChI Key:
YFAITYMWAJRUNA-UHFFFAOYSA-N
SMILES:
CC1CN(CCN1C(=O)OC(C)(C)C)c1ccc(nn1)Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.798g/mol
Monoisotopic Mass:
312.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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