Text Search
Structure Search

4-bromo-N-tert-butyl-2-nitro-5-propoxyaniline

4-bromo-N-tert-butyl-2-nitro-5-propoxyaniline

CAS: 1305322-90-0

Formula: C13H19BrN2O3

SMILES: CCCOC1=CC(NC(C)(C)C)=C(C=C1Br)[N+]([O-])=O

IUPAC: 4-bromo-N-tert-butyl-2-nitro-5-propoxyaniline

InChI: InChI=1S/C13H19BrN2O3/c1-5-6-19-12-8-10(15-13(2,3)4)11(16(17)18)7-9(12)14/h7-8,15H,5-6H2,1-4H3

Composition: C (47.14%), H (5.78%), Br (24.12%), N (8.46%), O (14.49%)

Molar Mass: 331.21

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 330.057905
Formal Charge 0
FSP3 0.54
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IGJKOHOAQWXYTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.74
Topological Polar Surface Area 64.4
Polarizability 29.77
Ring Count 1
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1305322-90-0 $246.10-$572.70$246.10$572.70
Request Quote