AG00AS12

1520452-96-3 | 2,4-dichloro-5h,6h,7h-pyrrolo[2,3-d]pyrimidin-6-one

AG00AS12

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CAS Number	1520452-96-3
Catalog Number	AG00AS12(AGN-PC-0WBRXM)
Chemical Name	2,4-dichloro-5h,6h,7h-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC Name	2,4-dichloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
InChI	InChI=1S/C6H3Cl2N3O/c7-4-2-1-3(12)9-5(2)11-6(8)10-4/h1H2,(H,9,10,11,12)
InChI Key	IGMUFDAQGZNNIM-UHFFFAOYSA-N
MDL Number	MFCD27987437
Molecular Formula	C6H3Cl2N3O
Molecular Weight	204.0135
SMILES	Clc1c2c(NC(=O)C2)nc(n1)Cl
Synonyms	1520452-96-3, 2,4-dichloro-5h,6h,7h-pyrrolo[2,3-d]pyrimidin-6-one, 2,4-Dichloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one, 2,4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, 2,4-Dichloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, SCHEMBL17926499, MFCD27987437, ZINC84237183, AKOS023400289, FCH2515951, SB14142, AK171322, AS-52124, CS-0052166,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.01g/mol
Monoisotopic Mass	202.965g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.9A^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-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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