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tert-butyl N-[3-(2-bromoethyl)phenyl]carbamate

tert-butyl N-[3-(2-bromoethyl)phenyl]carbamate

CAS: 1026069-85-1

Formula: C13H18BrNO2

SMILES: CC(C)(C)OC(=O)NC1=CC(CCBr)=CC=C1

IUPAC: tert-butyl N-[3-(2-bromoethyl)phenyl]carbamate

InChI: InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-11-6-4-5-10(9-11)7-8-14/h4-6,9H,7-8H2,1-3H3,(H,15,16)

Composition: C (52.01%), H (6.04%), Br (26.62%), N (4.67%), O (10.66%)

Molar Mass: 300.196

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 299.052092
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CFBHXWCHUJJBGO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.96
Topological Polar Surface Area 38.33
Polarizability 27.71
Ring Count 1
Rotatable Bond Count 5

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1026069-85-1 $158.40-$405.12$158.40$255.36$405.12
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