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1174069-17-0 | Imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-chloro-5,6,7,8-tetrahydro-, ethyl ester, hydrochloride (1:1)
CAS No: 1174069-17-0 Catalog No: AG000E9K MDL No:
Product Description
Catalog Number:
AG000E9K
Chemical Name:
Imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-chloro-5,6,7,8-tetrahydro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1174069-17-0
Molecular Formula:
C9H13Cl2N3O2
Molecular Weight:
266.1244
IUPAC Name:
ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C9H12ClN3O2.ClH/c1-2-15-9(14)7-8(10)13-4-3-11-5-6(13)12-7;/h11H,2-5H2,1H3;1H
InChI Key:
JCAQSJYYSAQDCM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2n(c1Cl)CCNC2.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.122g/mol
Monoisotopic Mass:
265.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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