AG002GGK

187725-00-4 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester

AG002GGK

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CAS Number	187725-00-4
Catalog Number	AG002GGK(AGN-PC-0399BE)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester
IUPAC Name	ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(10)11-4-12-8(5)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChI Key	BMVGJDTURCUCNP-UHFFFAOYSA-N
MDL Number	MFCD09839778
Molecular Formula	C9H8ClN3O2
Molecular Weight	225.6317
SMILES	ClC1=NC=NC2=C1C=C([NH]2)C(=O)OCC
Synonyms	Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate, 187725-00-4, 1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester, 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester, AK-27613, ethyl 4-chloro-1h-pyrrolo[2,3-d]pyrimidine-6-carboxylate, BMVGJDTURCUCNP-UHFFFAOYSA-N, PubChem14726, ACMC-209epy, 3-d]pyrimidine-6-carboxylate, SCHEMBL2199469, CTK6F6097, DTXSID50611746, KS-00000MB5, ANW-23348, CE0102, MFCD09839778, ZINC35269904, AKOS015843467, AKOS015910113, CS-W006831, GS-6502, PB23696, RP09537, AJ-90940, AN-30390, BC656057, BR-27613, CJ-18661, SC-27917, AX8058987, ST2419349, TC-068836, 4CH-014562, AM20090098, FT-0650436, W4049, B-7579, 725E004, A813166, I14-3039, J-520996, Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carbo, 4-chloro-6-ethoxycarbonyl-7H-pyrrolo[2,3-d]pyrimidine, ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidin-6-carboxylate, ethyl 4-chloranyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate, 1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid,4-chloro-,ethylester, 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-, ethyl ester, C9H8ClN3O2,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.031g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.632g/mol
Monoisotopic Mass	225.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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