AG00BCWQ

253677-29-1 | 2-tert-Butoxycarbonylamino-5-chloro-benzoic acid

AG00BCWQ

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CAS Number	253677-29-1
Catalog Number	AG00BCWQ(AGN-PC-0K6AY9)
Chemical Name	2-tert-Butoxycarbonylamino-5-chloro-benzoic acid
IUPAC Name	5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI	InChI=1S/C12H14ClNO4/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	SWJIXFKVVPTMPQ-UHFFFAOYSA-N
MDL Number	MFCD02682158
Molecular Formula	C12H14ClNO4
Molecular Weight	271.6969
SMILES	O=C(O)C1=CC(Cl)=CC=C1NC(OC(C)(C)C)=O
Synonyms	253677-29-1, 2-tert-Butoxycarbonylamino-5-chloro-benzoic acid, 2-((tert-Butoxycarbonyl)amino)-5-chlorobenzoic acid, N-Boc-5-chloroanthranilic acid, Anthranilicacid,N-Boc-5-chloro, 2-[(tert-butoxycarbonyl)amino]-5-chlorobenzoic acid, Benzoic acid,5-chloro-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid, AC1LTX9C, CTK4F5560, DTXSID10363956, KS-00000GN6, ZINC4203467, MFCD02682158, AKOS000199513, AB12206, VZ25198, AJ-48615, AK-47234, DS-14240, SC-58069, AB0075413, DB-046683, RT-014329, FT-0644132, B64144, X-1596, 2-(tert-butoxycarbonylamino)-5-chlorobenzoic acid, 2-tert-Butoxycarbonylamino-5-chloro lbenzoic acid, 677B291, I14-4881, Q-103163, 5-CHLORO-2-((TERT-BUTOXYCARBONYL)AMINO)BENZOIC ACID, 2-tert-Butoxycarbonylamino-5-chloro-benzoic acid, AldrichCPR, Boc-2-amino-5-chlorobenzoic acid, ACN-052969, CID1516393, 2-(tert-butoxycarbonyl)-5-chlorobenzoic acid, 2-tert-Butoxycarbonylamino-5-chlorolbenzoicacid, A13590, 2-tert-Butoxycarbonylamino-5-chlorolbenzoic acid,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.061g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.697g/mol
Monoisotopic Mass	271.061g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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