4-Bromophenacylamine, N-BOC protected

CAT: 0127-OR303991Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

339185-70-5

Synonyms

Tert-Butyl [2- (4-bromophenyl) -2-oxoethyl]carbamate, 1- (4-Bromophenyl) -2-[ (tert-Butoxycarbonyl) amino]ethan-1-one

MDL Number

MFCD20921604

Purity

=95%

Smiles

CC(C)(C)OC(=O)NCC(=O)c1ccc(Br)cc1

Chemical Information

tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate

CAS Number	339185-70-5
PubChem CID	59610197
IUPAC Name	tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate
Molecular Formula	C13H16BrNO3
Molecular Weight	314.17
XLogP	3
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	304

SMILES

CC(C)(C)OC(=O)NCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(17)15-8-11(16)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)

InChIKey

CYXGIBANCUCMNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 339185-70-5

CID: 59610197

Formula: C13H16BrNO3

MW: 314.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.17
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	313.03136
Monoisotopic Mass	313.03136
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	304
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR9060-01	4-Cyanopiperidine, N-BOC protected
OR10620-01	4-Bromoaniline, N-BOC protected
OR41125-01	4-Iodopiperidine, N-BOC protected
PC2107	4-Fluorophenylglycine-N-Boc protected
OR9063-01	4-Methylenepiperidine, N-BOC protected
PC9591-01	4-Fluoroaniline, N-BOC protected
OR3588	4-Nitroindole, N-BOC protected
OR5404-01	4-Hydroxypiperidine, N-BOC protected
OR01705-01	4-Aminobenzaldehyde, N-BOC protected
OR11986-01	4- (Cyanomethyl) piperidine, N-BOC protected

Catalog	Name
sc-357751A	4-Fluoroaniline, N-BOC protected
sc-357720	4-Bromoindole, N-BOC protected
TTB75980-01	4- (Trifluoroacetyl) piperidine, N-BOC protected
sc-356686	3-Bromo-4-chloroindole, N-BOC protected
sc-262004	4-Hydroxyindole-3-carboxaldehyde, N-BOC protected
sc-357673	4-Benzyloxy-3-iodoindole, N-BOC protected
sc-357672	4-Benzyloxy-3-hydroxymethylindole, N-BOC protected
sc-357671	4-Benzyloxy-3-bromoindole, N-BOC protected
sc-358195	Ethyl 4- (iodomethyl) piperidine-4-carboxylate, N-BOC protected
sc-356576	(2R) -2-Benzyl-4-oxopyrrolidine, N-BOC protected