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tert-butyl N-(4-bromo-2,5-dimethylphenyl)carbamate

tert-butyl N-(4-bromo-2,5-dimethylphenyl)carbamate

CAS: 1086392-05-3

Formula: C13H18BrNO2

SMILES: CC1=CC(NC(=O)OC(C)(C)C)=C(C)C=C1Br

IUPAC: tert-butyl N-(4-bromo-2,5-dimethylphenyl)carbamate

InChI: InChI=1S/C13H18BrNO2/c1-8-7-11(9(2)6-10(8)14)15-12(16)17-13(3,4)5/h6-7H,1-5H3,(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 KUDAFKXDMDUGBB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.06
Topological Polar Surface Area 38.33
Polarizability 27.74
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1086392-05-3 $243.80-$4,597.70$243.80$373.75$631.35$1,147.70$4,597.70
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