AG000MIP

1246471-36-2 | 1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester

AG000MIP

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CAS Number	1246471-36-2
Catalog Number	AG000MIP(AGN-PC-0WAEGH)
Chemical Name	1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-bromo-6-chloroindole-1-carboxylate
InChI	InChI=1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
InChI Key	BZZPVBVOSNRGHB-UHFFFAOYSA-N
MDL Number	MFCD17169908
Molecular Formula	C13H13BrClNO2
Molecular Weight	330.6048
SMILES	ClC1=CC2=C(C=C1)C(Br)=CN2C(OC(C)(C)C)=O
Synonyms	N-Boc-3-bromo-6-chloroindole, 1246471-36-2, 3-bromo-6-chloro-1h-indole-1-carboxylic acid tert-butyl ester, 7231AJ, MFCD17169908, ZINC90635735, AKOS025404079, FCH2787726, TRA-0184106, AS-32507, SY009789, TC-308683, CS-0044508, FT-0755731, K-1819, MFCD17169908 (95+%), TERT-BUTYL 3-BROMO-6-CHLOROINDOLE-1-CARBOXYLATE, 1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester, C13H13BrClNO2, 99-66-1,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.982g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.606g/mol
Monoisotopic Mass	328.982g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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