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Home Other Building Blocks 3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether

3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether

CAS No.:
1334499-94-3
Catalog Number:
AG0072N1
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$219
- +
5g
98%
In Stock USA
United States
$875
- +
Product Description
Catalog Number:
AG0072N1
Chemical Name:
3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether
CAS Number:
1334499-94-3
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
MDL Number:
MFCD20231462
IUPAC Name:
6-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
InChI:
InChI=1S/C11H11BrO2/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3H,4-7H2
InChI Key:
ARFCYTDJLCCBPB-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1OCC1(CO2)CC1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties