AG00GSV6

928653-82-1 | 5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER

AG00GSV6

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CAS Number	928653-82-1
Catalog Number	AG00GSV6(AGN-PC-0W1ZAR)
Chemical Name	5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
IUPAC Name	tert-butyl 5-chloropyrrolo[2,3-b]pyridine-1-carboxylate
InChI	InChI=1S/C12H13ClN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,1-3H3
InChI Key	SNGGZUPWFCDVAO-UHFFFAOYSA-N
MDL Number	MFCD08741541
Molecular Formula	C12H13ClN2O2
Molecular Weight	252.6968
SMILES	O=C(N1C=CC2=CC(Cl)=CN=C21)OC(C)(C)C
Synonyms	928653-82-1, 5-Chloro-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, TERT-BUTYL 5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE, 5-Chloro-pyrrolo[2,3-b]pyridine-1-carboxylic acidtert-butyl ester, AC1Q1MW8, CTK8E2509, DTXSID90640131, 3479AF, MFCD08741541, ZINC14401033, AKOS015838303, AB48839, RTR-029088, TR-029088, FT-0678334, A-6720, I02-4178, tert-butyl 5-chloropyrrolo[2,3-b]pyridine-1-carboxylate, 5-chloropyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, 5-CHLORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER, 5-Chloro-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester, AldrichCPR, C12H13ClN2O2,

Complexity	303
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.067g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.698g/mol
Monoisotopic Mass	252.067g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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