Text Search
Structure Search

2-{2-[(tert-butoxycarbonyl)amino]ethoxy}benzoic acid

2-{2-[(tert-butoxycarbonyl)amino]ethoxy}benzoic acid

CAS: 263410-04-4

Formula: C14H19NO5

SMILES: CC(C)(C)OC(=O)NCCOC1=CC=CC=C1C(O)=O

IUPAC: 2-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)benzoic acid

InChI: InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-19-11-7-5-4-6-10(11)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)

Composition: C (59.78%), H (6.81%), N (4.98%), O (28.44%)

Molar Mass: 281.308

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.126322716
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MLAAXRQHNVVOJU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.6
Topological Polar Surface Area 84.86
Polarizability 28.19
Ring Count 1
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 263410-04-4 $155.52-$689.28$155.52$233.28$689.28
Request Quote