AG00IG3H

903130-30-3 | 3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid

AG00IG3H

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CAS Number	903130-30-3
Catalog Number	AG00IG3H(AGN-PC-01NOOT)
Chemical Name	3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
IUPAC Name	3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
InChI	InChI=1S/C12H16ClN3O4/c1-12(2,3)20-11(19)15-4-5-16-7(6-15)14-8(9(16)13)10(17)18/h4-6H2,1-3H3,(H,17,18)
InChI Key	DKAJUVQRVUHWJW-UHFFFAOYSA-N
MDL Number	MFCD08448174
Molecular Formula	C12H16ClN3O4
Molecular Weight	301.7261
SMILES	CC(C)(C)OC(=O)N1CC2N(CC1)C(Cl)=C(C(O)=O)N=2
Synonyms	903130-30-3, 7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid, 7-Boc-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid, 7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid, PubChem17819, C12H16ClN3O4, SCHEMBL5935827, 2-a]pyrazine-2-carboxylic acid, CTK7G3483, DTXSID20592058, BCP19265, ANW-56268, MFCD08448174, ZINC30678285, 7-(tert-butoxycarbonyl)-3-chloro-5, AKOS015841642, RP07547, AJ-84036, AN-16330, AX8026586, TC-068390, CS-0060958, FT-0645486, Y4626, 130B303, J-519042, 7-(tert-butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo, 3-chloro-7-boc-5,6,7,8-tetrahydro-imidazo[1,2-a]pyrazine-2-carboxylic acid, 7-(Boc)-3-Chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid, 7-(tert-butoxycarbonyl)-3-chloro-5H,6H,8H-imidazo[1,2-a]pyrazine-2-carboxylic acid, 7-[(tert-butoxy)carbonyl]-3-chloro-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylic acid, 7-tert-butoxycarbonyl-3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylicacid, 7-(TERT-BUTOXYCARBONYL)-3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLICACID, Not Available, 7-Boc-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylicacid, 7- -3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLICACID,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.083g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.727g/mol
Monoisotopic Mass	301.083g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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