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benzyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate

benzyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate

CAS: 2001709-95-9

Formula: C16H17BrN2O2

SMILES: NC(CNC(=O)OCC1=CC=CC=C1)C1=CC=CC(Br)=C1

IUPAC: benzyl N-[2-amino-2-(3-bromophenyl)ethyl]carbamate

InChI: InChI=1/C16H17BrN2O2/c17-14-8-4-7-13(9-14)15(18)10-19-16(20)21-11-12-5-2-1-3-6-12/h1-9,15H,10-11,18H2,(H,19,20)

Composition: C (55.03%), H (4.91%), Br (22.88%), N (8.02%), O (9.16%)

Molar Mass: 349.228

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 348.047341
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VRCHHOQYRYDGMC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.45
Topological Polar Surface Area 64.35
Polarizability 33.43
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2001709-95-9 $342.70-$6,762.00$342.70$457.70$687.70$1,147.70$1,817.00$6,762.00
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