AG00BBK4

269078-76-4 | 3-N-Fmoc-3-(4-bromophenyl)propionic acid

AG00BBK4

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CAS Number	269078-76-4
Catalog Number	AG00BBK4(AGN-PC-0R2TVL)
Chemical Name	3-N-Fmoc-3-(4-bromophenyl)propionic acid
IUPAC Name	3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C24H20BrNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)
InChI Key	GVCLAQFMSVKNKH-UHFFFAOYSA-N
MDL Number	MFCD01863199
Molecular Formula	C24H20BrNO4
Molecular Weight	466.3239
SMILES	O=C(O)CC(NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O)C4=CC=C(Br)C=C4
Synonyms	269078-76-4, 3-N-Fmoc-3-(4-Bromophenyl)propionic acid, Fmoc-(R,S)3-amino-3-(4-bromophenyl)propionic acid, 3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, Fmoc-3-amino-3-(4-bromophenyl)propionic acid, Fmoc-R-3-Amino-3-(4-bromo-phenyl)-propionic acid, Fmoc-S-3-Amino-3-(4-bromo-phenyl)-propionic acid, AC1MBZTV, SCHEMBL3230119, CTK8F9861, (3S)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, 5364AH, MFCD01863199, AKOS025404029, ACM269078764, BBV-38260289, RT-012815, Fmoc-(R,S)-3-Amino-3-(4-bromophenyl)propionic acid, (3R)-3-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, C24H20BrNO4, 3-N-FMOC-3- PROPIONICACID, CID2759183, 220497-68-7, 220498-04-4, (S)-N-Fmoc-3-Amino-3-(4-bromophenyl)propanoic acid, (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-bromophenyl)propanoic acid, 3-(4-bromophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid,

Complexity	584
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	465.058g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	466.331g/mol
Monoisotopic Mass	465.058g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number