AG0074K4

185146-84-3 | Boc-l-2-nitrophenylalanine

AG0074K4

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CAS Number	185146-84-3
Catalog Number	AG0074K4(AGN-PC-0O5DFZ)
Chemical Name	Boc-l-2-nitrophenylalanine
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
InChI	InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChI Key	BSHMNGMAJNWNBP-JTQLQIEISA-N
MDL Number	MFCD01317708
Molecular Formula	C14H18N2O6
Molecular Weight	310.3025
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1[N+]([O-])=O
Synonyms	185146-84-3, Boc-2-nitro-L-phenylalanine, Boc-L-2-Nitrophenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid, Boc-L-2-NO2-Phe-OH, Boc-L-2-Nitrophe, Boc-D-2-nitrophenylalanine, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-, (2S)-2-(tert-butoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid, AK-90346, AC1MC5RS, SCHEMBL648928, CTK8B4563, BSHMNGMAJNWNBP-JTQLQIEISA-N, ZINC2574693, ZX-AT014548, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(2-nitrophenyl)propanoic acid, ANW-45483, MFCD01317708, AKOS015836623, AKOS015907808, AM83439, BL284-1, OR14576, KS-00000J13, AJ-42260, AN-27994, AN-30323, DS-16847, SC-10880, AX8019010, DB-022703, TR-008553, Boc-2-nitro-L-phenylalanine, 98% (HPLC), FT-0679829, W4005, Y6726, B-7544, 146B843, I14-26439, (S)-2-(tert-butoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid, (S)-2-(tert-butyloxycarbonylamino)-3-(2-nitrophenyl)propanoic acid, (S)-2-(tert-butyloxycarbonylamino)-3-(2-nitrophenyl) propanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid, C14H18N2O6, CID2761798, 478183-69-6, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoicacid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic Acid,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	310.116g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	310.306g/mol
Monoisotopic Mass	310.116g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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