Text Search
Structure Search

6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

CAS: 99199-54-9

Formula: C10H9BrO3

SMILES: OC(=O)C1CCC2=C(O1)C=CC(Br)=C2

IUPAC: 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

InChI: InChI=1/C10H9BrO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)

Composition: C (46.72%), H (3.53%), Br (31.08%), O (18.67%)

Molar Mass: 257.083

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 255.973507
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LDOBEICKZURYCC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.88
Topological Polar Surface Area 46.53
Polarizability 21.09
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 99199-54-9 $75.56-$1,392.08$75.56$125.24$324.99$1,392.08
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 99199-54-9 $210.59-$728.86$210.59$375.78$728.86
Request Quote