Text Search
Structure Search

2-bromo-4-methoxy-1,3-dinitrobenzene

2-bromo-4-methoxy-1,3-dinitrobenzene

CAS: 1421312-12-0

Formula: C7H5BrN2O5

SMILES: COC1=C(C(Br)=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 2-bromo-4-methoxy-1,3-dinitrobenzene

InChI: InChI=1S/C7H5BrN2O5/c1-15-5-3-2-4(9(11)12)6(8)7(5)10(13)14/h2-3H,1H3

Composition: C (30.35%), H (1.82%), Br (28.84%), N (10.11%), O (28.88%)

Molar Mass: 277.03

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.938184
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey FPDNCAVWOUOBNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.79
Topological Polar Surface Area 95.51
Polarizability 19.92
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 1421312-12-0 $316.25-$948.75$316.25$460.00$948.75
Request Quote