AG003OFB

68790-38-5 | 2-​Boc-​aminobenzoic acid

AG003OFB

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CAS Number	68790-38-5
Catalog Number	AG003OFB(AGN-PC-0L542I)
Chemical Name	2-​Boc-​aminobenzoic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI	InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key	BYGHHEDJDSLEKK-UHFFFAOYSA-N
MDL Number	MFCD00151862
Molecular Formula	C12H15NO4
Molecular Weight	237.2518
SMILES	CC(C)(C)OC(=O)NC1=CC=CC=C1C(O)=O
Synonyms	Boc-2-Abz-OH, 68790-38-5, Boc-2-aminobenzoic acid, boc-anthranilic acid, 2-(Boc-amino)benzoic acid, 2-(tert-butoxycarbonylamino)benzoic acid, Boc-Abz-OH, 2-{[(tert-butoxy)carbonyl]amino}benzoic acid, 2-[(tert-butoxycarbonyl)amino]benzoic acid, 2-((tert-butoxycarbonyl)amino)benzoic acid, N-Boc-anthranilic acid, AC1N3I4X, AC1Q1N9D, AC1Q1N9E, Oprea1_475362, SCHEMBL222446, 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid, t-butoxycarbonyl anthranilic acid, DTXSID60399169, BYGHHEDJDSLEKK-UHFFFAOYSA-N, HMS1617M13, ZINC216768, 0626AC, MFCD00151862, AKOS000169402, 2-tert-Butoxycarbonylamino-benzoic acid, MCULE-6432508551, NE27280, TRA0067138, AJ-17992, AK-88933, Boc-2-Abz-OH, >=98.0% (T), N-(t-butoxycarbonyl)-2-aminobenzoic acid, 2-(tert-butyloxycarbonylamino)benzoic acid, AB1007855, N-(tert-butyloxycarbonyl)-aminobenzoic acid, TR-022941, FT-0679789, ST24046195, 2-(T-BUTYLOXYCARBONYLAMINO)-BENZOIC ACID, SR-01000086404, SR-01000086404-1, I14-27427, Benzoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, Z1492781320, 2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)benzoic acid, 2-(Boc-amino)benzoic acid; N-Boc-anthranilic acid; Boc-2-Abz-OH, C12H15NO4, ACN-040026, CID4087778, N-Boc-anthranilic acid, 98% - 25G 25g,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	237.255g/mol
Monoisotopic Mass	237.1g/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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