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1583-59-1 | 1,3-Benzodioxole, 2,2-difluoro-
CAS No: 1583-59-1 Catalog No: AG001Q3S MDL No:MFCD00236217
Product Description
Catalog Number:
AG001Q3S
Chemical Name:
1,3-Benzodioxole, 2,2-difluoro-
CAS Number:
1583-59-1
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00236217
IUPAC Name:
2,2-difluoro-1,3-benzodioxole
InChI:
InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChI Key:
DGCOGZQDAXUUBY-UHFFFAOYSA-N
SMILES:
FC1(F)Oc2c(O1)cccc2
EC Number:
216-431-4
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.018g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.104g/mol
Monoisotopic Mass:
158.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile. | Acta crystallographica. Section E, Structure reports online 20120101 |
| The trifluoromethoxy group: a long-range electron-withdrawing substituent. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020215 |
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