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tert-butyl N-(3-bromo-5-chlorophenyl)carbamate

tert-butyl N-(3-bromo-5-chlorophenyl)carbamate

CAS: 1187932-42-8

Formula: C11H13BrClNO2

SMILES: CC(C)(C)OC(=O)NC1=CC(Cl)=CC(Br)=C1

IUPAC: tert-butyl N-(3-bromo-5-chlorophenyl)carbamate

InChI: InChI=1S/C11H13BrClNO2/c1-11(2,3)16-10(15)14-9-5-7(12)4-8(13)6-9/h4-6H,1-3H3,(H,14,15)

Composition: C (43.09%), H (4.27%), Br (26.06%), Cl (11.56%), N (4.57%), O (10.44%)

Molar Mass: 306.58

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 304.981819
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VVRHVJMRXVANCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.78
Topological Polar Surface Area 38.33
Polarizability 26.2
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 1187932-42-8 $373.75-$4,597.70$373.75$631.35$1,147.70$4,597.70
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