AG007P54

1211536-93-4 | 6-Bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine

AG007P54

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CAS Number	1211536-93-4
Catalog Number	AG007P54(AGN-PC-0AC0YQ)
Chemical Name	6-Bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
IUPAC Name	6-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine
InChI	InChI=1S/C6H3BrClN3/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2,11H
InChI Key	IYPTWTNEWAVBBM-UHFFFAOYSA-N
MDL Number	MFCD17012952
Molecular Formula	C6H3BrClN3
Molecular Weight	232.4651
SMILES	ClC1=C(NC(Br)=C2)C2=NC=N1
Synonyms	6-Bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine, 1211536-93-4, AK123066, SCHEMBL16793861, CTK4B2211, DTXSID80716576, MFCD17012952, ZINC66323439, AKOS015835466, DS-6877, FCH1351691, RL00895, SB14769, AJ-115974, AX8247244, TR-034495, 4CH-005843, BB 0262192, CS-0054384, FT-0683037, I03-949, J-518388,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.92g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.465g/mol
Monoisotopic Mass	230.92g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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