AG000R09

1260666-52-1 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, methyl ester

AG000R09

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CAS Number	1260666-52-1
Catalog Number	AG000R09(AGN-PC-0WCKT4)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, methyl ester
IUPAC Name	methyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
InChI	InChI=1S/C8H5Cl2N3O2/c1-15-7(14)4-2-3-5(9)12-8(10)13-6(3)11-4/h2H,1H3,(H,11,12,13)
InChI Key	YUMMTTBFLHJEMC-UHFFFAOYSA-N
MDL Number	MFCD18250578
Molecular Formula	C8H5Cl2N3O2
Molecular Weight	246.0502
SMILES	Clc1c2c([nH]c(c2)C(=O)OC)nc(n1)Cl
Synonyms	methyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate, 1260666-52-1, Methyl 2,4-dichloro-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylate, C23H24N2OS, MFCD18250578, RW3158, ZINC94568711, PB15347, QC-1997, KS-0000071A, AK173605, AS-51257, CS-0049189, X5093, Q-3865, 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester, 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2,4-dichloro-, methyl ester,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.976g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.047g/mol
Monoisotopic Mass	244.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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

Lot Number