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benzyl N-(3-bromo-5-nitrophenyl)carbamate

benzyl N-(3-bromo-5-nitrophenyl)carbamate

CAS: 1020252-75-8

Formula: C14H11BrN2O4

SMILES: [O-][N+](=O)C1=CC(NC(=O)OCC2=CC=CC=C2)=CC(Br)=C1

IUPAC: benzyl N-(3-bromo-5-nitrophenyl)carbamate

InChI: InChI=1S/C14H11BrN2O4/c15-11-6-12(8-13(7-11)17(19)20)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)

Composition: C (47.89%), H (3.16%), Br (22.75%), N (7.98%), O (18.22%)

Molar Mass: 351.156

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 349.99022
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YVVHYVDFMBLQQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.1
Topological Polar Surface Area 81.47
Polarizability 30.27
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1020252-75-8 $300.15-$1,930.85$300.15$734.85$1,930.85
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