AG00333A

84955-31-7 | 2-Amino-4-chloropyrrolo[2,3-d]pyrimidine

AG00333A

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CAS Number	84955-31-7
Catalog Number	AG00333A(AGN-PC-0OJHIN)
Chemical Name	2-Amino-4-chloropyrrolo[2,3-d]pyrimidine
IUPAC Name	4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI	InChI=1S/C6H5ClN4/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H3,8,9,10,11)
InChI Key	VIVLSUIQHWGALQ-UHFFFAOYSA-N
MDL Number	MFCD22576107
Molecular Formula	C6H5ClN4
Molecular Weight	168.5837
SMILES	Nc1nc(Cl)c2c([nH]1)ncc2
Synonyms	4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine, 84955-31-7, 2-amino-4-chloropyrrolo[2,3-d]pyrimidine, 6-Chloro-7-deazaguanine, 2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-1H-pyrrolo[2,3-d]pyrimidin-2-amine, MFCD07369229, 4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YLAMINE, 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-, PubChem17791, 651035-58-4, 6-Chloro-7-Deazaguamine, AC1NT53J, SCHEMBL760829, CHEMBL4079705, CTK5F3545, CTK7E0695, DTXSID30415906, VIVLSUIQHWGALQ-UHFFFAOYSA-N, QC-14, BCP27471, STR09506, ANW-49697, BBL101341, CC-881, RW1376, SBB088214, STL555137, ZINC16697557, AKOS005258691, AKOS028109134, ACN-025372, CS-W019601, FCH1437433, HP22867, LS40961, PB32491, PS-3942, RP08745, RP23125, RTC-030860, TRA0074095, KS-000002W0, AC-24695, AJ-69372, AK-25013, BR-25013, CJ-15604, NA090021, SC-26602, SC-28696, SY013816, AB0033623, AB0091110, AB1006672, ST1191214, TC-030860, 2-amino-4-chloro-pyrrolo[2,3-d]pyrimidine, 4-chloropyrrolo[2,3-d]pyrimidine-2-ylamine, 4CH-013171, AM20110218, FT-0080768, FT-0647489, X7288, MFCD07369229 (97%), 2-amino-4-chloro-1H-pyrrolo[2,3-d]pyrimidine, B-1779, 2-amino-4-chloro-7 h-pyrrolo[2,3-d]pyrimidine, 2-amino-4-chloro-7H-pyrrolo[2,3 -d]pyrimidine, 2-amino-4-chloro-7H-pyrrolo[2,3-d ]pyrimidine, 7H-Pyrrolo[2,3-d]pyrimidin-2-amine,4-chloro-, 4-Chloro-7H-pyrr olo[2,3-d]pyrimid in-2-amine, 4-Chloro-7H-pyrrolo [2,3-d]pyrimidin-2-ylamine, 7H-pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-, 955C317, W-203934, 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine sodium, I14-12461, 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine, AldrichCPR, InChI=1/C6H5ClN4/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H3,8,9,10,11, C6H5ClN4, CID5324413, 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine, 95% - 1G 1g,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.584g/mol
Monoisotopic Mass	168.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number