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Home Carboxys Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate

Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate

CAS No.:
773873-95-3
Catalog Number:
AG005BKE
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$12
- +
25g
98%
1 week
United States
$135
- +
Product Description
Catalog Number:
AG005BKE
Chemical Name:
Methyl 2,2-difluorobenzo[d][1,3]dioxole-5-carboxylate
CAS Number:
773873-95-3
Molecular Formula:
C9H6F2O4
Molecular Weight:
216.1383
MDL Number:
MFCD06203771
IUPAC Name:
methyl 2,2-difluoro-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C9H6F2O4/c1-13-8(12)5-2-3-6-7(4-5)15-9(10,11)14-6/h2-4H,1H3
InChI Key:
MYEOSTSAKCEVAS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)OC(O2)(F)F
EC Number:
616-458-5
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.14g/mol
Monoisotopic Mass:
216.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties