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tert-butyl N-(3-amino-4-bromophenyl)carbamate

tert-butyl N-(3-amino-4-bromophenyl)carbamate

CAS: 885270-70-2

Formula: C11H15BrN2O2

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

IUPAC: tert-butyl N-(3-amino-4-bromophenyl)carbamate

InChI: InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,13H2,1-3H3,(H,14,15)

Composition: C (46.01%), H (5.27%), Br (27.83%), N (9.76%), O (11.14%)

Molar Mass: 287.157

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.031691
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RFQBPWDUTRKBLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.67
Topological Polar Surface Area 64.35
Polarizability 25.42
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 885270-70-2 $112.70-$1,104.00$112.70$142.60$166.75$218.50$322.00$1,104.00
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