AG0030Y3

306937-20-2 | 5-Bromo-2-((Tert-Butoxycarbonyl)Amino)Benzoic Acid

AG0030Y3

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CAS Number	306937-20-2
Catalog Number	AG0030Y3(AGN-PC-0JVH1M)
Chemical Name	5-Bromo-2-((Tert-Butoxycarbonyl)Amino)Benzoic Acid
IUPAC Name	5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI	InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChI Key	XRMSYCMCKRUWJD-UHFFFAOYSA-N
MDL Number	MFCD01619006
Molecular Formula	C12H14BrNO4
Molecular Weight	316.1479
SMILES	C(=O)(OC(C)(C)C)NC1=CC=C(C=C1C(=O)O)Br
Synonyms	N-Boc-5-Bromoanthranilic acid, 306937-20-2, 5-Bromo-2-((tert-butoxycarbonyl)amino)benzoic acid, 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid, 5-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid, 5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid, AC1LF5ME, Cambridge id 6881760, N-Boc-5-bromoanthranilicacid, SCHEMBL3490024, CTK8B5826, DTXSID20352336, XRMSYCMCKRUWJD-UHFFFAOYSA-N, ZINC128432, ANW-50312, MFCD01619006, AKOS001681779, Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI), MCULE-6487531965, AJ-12012, AK-26828, BR-26828, DS-10900, ST027621, AB0024104, ST2411762, TC-139057, TR-013155, 4CH-008426, FT-0647495, W5302, 5-bromo-2-tert-butoxycarbonylamino-benzoic acid, S-3581, 2-[(tert-butoxy)carbonylamino]-5-bromobenzoic acid, 5-Bromo-2-(N-tert.Butoxycarbonyl)aminobenzoic acid, Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, C12H14BrNO4, 2-Amino-5-bromobenzoic acid, Boc-2-amino-5-bromobenzoic acid, CID723356, Benzoicacid,5-bromo-2-[[ carbonyl]amino]-,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.011g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	316.151g/mol
Monoisotopic Mass	315.011g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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