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tert-Butyl 4-bromobenzylcarbamate

tert-Butyl 4-bromobenzylcarbamate - CAS 68819-84-1

Name: tert-Butyl 4-bromobenzylcarbamate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033636
Product Name:	tert-Butyl 4-bromobenzylcarbamate
CAS:	68819-84-1
Synonyms:	N-[(4-bromophenyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-bromophenyl)methyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(4-bromophenyl)methyl]carbamate
Description:	tert-Butyl 4-bromobenzylcarbamate (CAS# 68819-84-1) is a useful research chemical.
Molecular Weight:	286.16
Molecular Formula:	C12H16BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1=CC=C(C=C1)Br
InChI:	InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChI Key:	DJNCXSGGAMADNN-UHFFFAOYSA-N
Boiling Point:	370.3 °C at 760 mmHg
Density:	1.319 g/cm³
MDL:	MFCD08703140
LogP:	3.86470

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Related Functional Groups

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.03644
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.03644
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1