Text Search
Structure Search

methyl 3'-nitro-[1,1'-biphenyl]-3-carboxylate

methyl 3'-nitro-[1,1'-biphenyl]-3-carboxylate

CAS: 149506-24-1

Formula: C14H11NO4

SMILES: COC(=O)C1=CC=CC(=C1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: methyl 3'-nitro-[1,1'-biphenyl]-3-carboxylate

InChI: InChI=1S/C14H11NO4/c1-19-14(16)12-6-2-4-10(8-12)11-5-3-7-13(9-11)15(17)18/h2-9H,1H3

Composition: C (65.37%), H (4.31%), N (5.45%), O (24.88%)

Molar Mass: 257.245

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.068807838
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DCWSOKNZNVBULZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.54
Topological Polar Surface Area 69.44
Polarizability 27.55
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 149506-24-1 $409.40-$1,713.50$409.40$1,061.45$1,713.50
Request Quote