AG00D89Z

500770-76-3 | Boc-(s)-3-amino-3-(3-bromo-phenyl)-propionic acid

AG00D89Z

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CAS Number	500770-76-3
Catalog Number	AG00D89Z(AGN-PC-0OB653)
Chemical Name	Boc-(s)-3-amino-3-(3-bromo-phenyl)-propionic acid
IUPAC Name	(3S)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	UTYRIGRZLZNTLR-NSHDSACASA-N
MDL Number	MFCD03427924
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)C[C@@H](C1=CC=CC(Br)=C1)NC(OC(C)(C)C)=O
Synonyms	500770-76-3, Boc-(S)-3-Amino-3-(3-bromo-phenyl)-propionic acid, (S)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, (S)-3-(3-BROMOPHENYL)-3-(BOC-AMINO)PROPANOIC ACID, Boc-(S)-3-amino-3-(3-bromophenyl)propionic acid, Boc-(R)-3-Amino-3-(3-bromophenyl)-propionic acid, Boc-?-Phe(3-Br)-OH, Boc-S-3-Amino-3-(3-bromo-phenyl)-propionic acid, Boc-(S)-3-Amino-3-(3-bromophenyl)-propionic acid, SCHEMBL740964, CTK4J2081, DTXSID40426609, ZINC2389136, 6812AB, MFCD03427924, AB15184, CB-2923, AC-22014, ACM500770763, AJ-35547, AS-36845, BBV-38259754, SC-52763, AX8117589, RT-011648, TL80073822, A-7775, Boc-L-3-Amino-3-(3-bromophenyl)-propionic acid, (3S)-3-(3-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid, (3S)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(3-BROMOPHENYL)PROPANOIC ACID, C14H18BrNO4, CID7010257, BOC- -3-AMINO-3- -PROPIONICACID, (S)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid, 3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 501015-16-3,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	343.042g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	344.205g/mol
Monoisotopic Mass	343.042g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number