AG003OFD

111331-82-9 | 3-(Boc-amino)benzoic acid

AG003OFD

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CAS Number	111331-82-9
Catalog Number	AG003OFD(AGN-PC-0JX2BF)
Chemical Name	3-(Boc-amino)benzoic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI	InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChI Key	SAPAUOFSCLCQJB-UHFFFAOYSA-N
MDL Number	MFCD00235884
Molecular Formula	C12H15NO4
Molecular Weight	237.2518
SMILES	CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(O)=O
Synonyms	111331-82-9, 3-(Boc-amino)benzoic acid, BOC-3-AMINOBENZOIC ACID, Boc-3-Abz-OH, 3-(BOC-AMINO)-BENZOIC ACID, 3-(tert-butoxycarbonylamino)benzoic acid, 3-((tert-butoxycarbonyl)amino)benzoic acid, Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 3-{[(tert-butoxy)carbonyl]amino}benzoic acid, 3-(t-Butyloxycarbonylamino)-benzoic acid, 3-[(tert-butoxycarbonyl)amino]benzoic acid, Boc-3-aminobenzoicacid, AC1LGZ31, SCHEMBL222876, 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid, KS-00000JYQ, SAPAUOFSCLCQJB-UHFFFAOYSA-N, HMS1736M04, ZINC404740, m-(1-t-butoxyformamido)benzoic acid, AB1174, ANW-74578, Boc-3-Abz-OH, >=97.0%, MFCD00235884, AKOS000199555, 3-tert-Butoxycarbonylamino-benzoic acid, AN-4351, CS-W000821, MCULE-7554568026, TRA0027194, 3-(t-butyloxycarbonylamino)benzoic acid, 3-tert-butyloxycarbonylaminobenzoic acid, n-tertbutoxycarbonyl-3-aminobenzoic acid, 3-(tert-Butoxy-carbonylamino)benzoic acid, AC-17188, AJ-22406, AK-44241, SC-41341, 3-(tert-Butyloxycarbonylamino)benzoic acid, 3-[(tert-butoxy)carbonylamino]benzoic acid, AB0033045, AB1007856, TC-163323, BB 0253932, FT-0679792, ST24041548, X6507, C-5775, 331B829, 6X-5023, SR-01000072442, SR-01000072442-1, Z94601532, 3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)benzoic acid, C12H15NO4, CID854162, ACN-043144,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number