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tert-butyl N-(8-bromoquinolin-5-yl)carbamate

tert-butyl N-(8-bromoquinolin-5-yl)carbamate

CAS: 1365272-14-5

Formula: C14H15BrN2O2

SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C2=NC=CC=C12

IUPAC: tert-butyl N-(8-bromoquinolin-5-yl)carbamate

InChI: InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-7-6-10(15)12-9(11)5-4-8-16-12/h4-8H,1-3H3,(H,17,18)

Composition: C (52.03%), H (4.68%), Br (24.72%), N (8.67%), O (9.90%)

Molar Mass: 323.19

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.031691
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BEJYTIZMSSGRBZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.89
Topological Polar Surface Area 51.22
Polarizability 30.77
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 1365272-14-5 $436.65-$1,371.65$436.65$1,371.65
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98% <6 Days 1365272-14-5 $734.85-$2,365.55$734.85$2,365.55
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