AG002KA5

209525-73-5 | Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG002KA5

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CAS Number	209525-73-5
Catalog Number	AG002KA5(AGN-PC-0QWTDT)
Chemical Name	Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI	InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChI Key	ZZONJNNLTAGSHB-UHFFFAOYSA-N
MDL Number	MFCD03426366
Molecular Formula	C13H16ClNO4
Molecular Weight	285.7234
SMILES	O=C(O)C(NC(OC(C)(C)C)=O)C1=CC=C(Cl)C=C1
Synonyms	209525-73-5, N-Boc-2-(4'-chlorophenyl)-DL-glycine, 2-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)acetic acid, N-Boc-Amino-(4-chlorophenyl)acetic acid, N-Boc-(4'-chlorophenyl)glycine, N-Boc-amino-(4-chloro-phenyl)-acetic acid, tert-Butoxycarbonylamino-(4-chloro-phenyl)-acetic acid, [(tert-butoxycarbonyl)amino](4-chlorophenyl)acetic acid, 2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid, 2-(tert-butoxycarbonylamino)-2-(4-chlorophenyl)acetic acid, AK-40815, Q-102253, 2-(tert-butoxycarbonyl)-2-(4-chlorophenyl)acetic acid, 2-(tertbutoxycarbonylamino)-2-(4-chlorophenyl)acetic acid, C13H16ClNO4, AC1MBUCS, PubChem13501, AC1Q1N7W, Boc-p-chloro-D,L-Phg-OH, SCHEMBL999536, CTK7I4149, DTXSID30373532, (2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, ZZONJNNLTAGSHB-UHFFFAOYSA-N, ACT04971, KS-00000I9E, ANW-48166, MFCD03426366, AKOS013464563, AC-6674, AN-9778, AS06713, CB-3059, AC-24603, ACM209525735, AN-29871, BBV-38240834, BR-40815, DS-13696, SC-24108, AB0005701, AX8165714, DB-031731, RT-014303, A4553, CS-0089831, FT-0630141, ST24027418, W4389, (R)-4-Chloro-a-(Boc-amino)benzeneacetic acid, S-5491, N-BOC-2-(4''-CHLOROPHENYL)-DL-GLYCINE, 994B857, tert-Butoxycarbonylamino-(4-chloro-phenyl)-acetic, I14-4875, 2-{[(tert-butoxy)carbonyl]amino}-2-(4-chlorophenyl)acetic acid, 2-[(TERT-BUTOXY)CARBONYLAMINO]-2-(4-CHLOROPHENYL)ACETIC ACID, Benzeneacetic acid, 4-chloro-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, Boc-D-Phg(4-Cl)-OH, N-BOC-2- -DL-GLYCINE, 2-(tert-butoxycarbonyl)acetic acid, CID2756781, 53994-85-7, N-Boc-2-(4'-Chlorophenyl)-D-glycine, N-Boc-Amino-(4-chlorophenyl)aceticacid, A7845, (S)-2-((tert-Butoxycarbonyl)amino)-2-(4-chlorophenyl)acetic acid, (2R)-[(tert-butoxycarbonyl)amino](4-chlorophenyl)ethanoic acid, (2S)-[(tert-butoxycarbonyl)amino](4-chlorophenyl)ethanoic acid, 917027-02-2,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.077g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.724g/mol
Monoisotopic Mass	285.077g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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