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tert-butyl N-(3-bromo-2-methoxyphenyl)-N-(tert-butoxycarbonyl)carbamate

tert-butyl N-(3-bromo-2-methoxyphenyl)-N-(tert-butoxycarbonyl)carbamate

CAS: 2752933-41-6

Formula: C17H24BrNO5

SMILES: COC1=C(Br)C=CC=C1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

IUPAC: tert-butyl N-(3-bromo-2-methoxyphenyl)-N-[(tert-butoxy)carbonyl]carbamate

InChI: InChI=1S/C17H24BrNO5/c1-16(2,3)23-14(20)19(15(21)24-17(4,5)6)12-10-8-9-11(18)13(12)22-7/h8-10H,1-7H3

Composition: C (50.76%), H (6.01%), Br (19.86%), N (3.48%), O (19.89%)

Molar Mass: 402.285

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 401.083786
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KHVHMLCEVSUIAX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.65
Topological Polar Surface Area 65.07
Polarizability 36.8
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2752933-41-6 $227.70-$1,147.70$227.70$342.70$457.70$687.70$1,147.70
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