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tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate

tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate

CAS: 360773-84-8

Formula: C14H18BrNO2

SMILES: CC(C)(C)OC(=O)NC1(CC1)C1=CC=C(Br)C=C1

IUPAC: tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate

InChI: InChI=1S/C14H18BrNO2/c1-13(2,3)18-12(17)16-14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)

Composition: C (53.86%), H (5.81%), Br (25.59%), N (4.49%), O (10.25%)

Molar Mass: 312.207

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 311.052092
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZJEMFURAGDYBTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.13
Topological Polar Surface Area 38.33
Polarizability 29
Ring Count 2
Rotatable Bond Count 4

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