Text Search
Structure Search

methyl 2-bromo-4-fluoro-5-nitrobenzoate

methyl 2-bromo-4-fluoro-5-nitrobenzoate

CAS: 85953-31-7

Formula: C8H5BrFNO4

SMILES: COC(=O)C1=C(Br)C=C(F)C(=C1)[N+]([O-])=O

IUPAC: methyl 2-bromo-4-fluoro-5-nitrobenzoate

InChI: InChI=1S/C8H5BrFNO4/c1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9/h2-3H,1H3

Composition: C (34.56%), H (1.81%), Br (28.74%), F (6.83%), N (5.04%), O (23.02%)

Molar Mass: 278.033

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.938599
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UYTRUAPOXQRIMA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.24
Topological Polar Surface Area 69.44
Polarizability 19.65
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Chemcia Scientific, LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 85953-31-7 $138.00-$678.50$138.00$408.25$678.50
Request Quote