Text Search
Structure Search

tert-butyl N-[3-(2-bromoacetyl)phenyl]carbamate

tert-butyl N-[3-(2-bromoacetyl)phenyl]carbamate

CAS: 2624416-93-7

Formula: C13H16BrNO3

SMILES: CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)CBr

IUPAC: tert-butyl N-[3-(2-bromoacetyl)phenyl]carbamate

InChI: InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(17)15-10-6-4-5-9(7-10)11(16)8-14/h4-7H,8H2,1-3H3,(H,15,17)

Composition: C (49.70%), H (5.13%), Br (25.43%), N (4.46%), O (15.28%)

Molar Mass: 314.179

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 313.031356
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AZBIZNPBGWYSCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.49
Topological Polar Surface Area 55.4
Polarizability 27.92
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2624416-93-7 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
Request Quote