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tert-butyl N-(5-bromo-2,3-difluorophenyl)carbamate

tert-butyl N-(5-bromo-2,3-difluorophenyl)carbamate

CAS: 1150114-27-4

Formula: C11H12BrF2NO2

SMILES: CC(C)(C)OC(=O)NC1=CC(Br)=CC(F)=C1F

IUPAC: tert-butyl N-(5-bromo-2,3-difluorophenyl)carbamate

InChI: InChI=1S/C11H12BrF2NO2/c1-11(2,3)17-10(16)15-8-5-6(12)4-7(13)9(8)14/h4-5H,1-3H3,(H,15,16)

Composition: C (42.88%), H (3.93%), Br (25.93%), F (12.33%), N (4.55%), O (10.38%)

Molar Mass: 308.123

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 307.001948
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WAJJWHFSXMLRKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.41
Topological Polar Surface Area 38.33
Polarizability 23.93
Ring Count 1
Rotatable Bond Count 3

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