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benzyl N-(3-bromophenyl)carbamate

benzyl N-(3-bromophenyl)carbamate

CAS: 361337-08-8

Formula: C14H12BrNO2

SMILES: BrC1=CC(NC(=O)OCC2=CC=CC=C2)=CC=C1

IUPAC: benzyl N-(3-bromophenyl)carbamate

InChI: InChI=1S/C14H12BrNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)

Composition: C (54.92%), H (3.95%), Br (26.10%), N (4.58%), O (10.45%)

Molar Mass: 306.159

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 305.005142
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKTXDGRJOLJFAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.78
Topological Polar Surface Area 38.33
Polarizability 28.24
Ring Count 2
Rotatable Bond Count 4

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