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Home > Fluorides > 127163-51-3
127163-51-3 | 1,3-Benzodioxole-5-carbonyl chloride, 2,2-difluoro-
CAS No: 127163-51-3 Catalog No: AG000WP8 MDL No:MFCD01631475
Product Description
Catalog Number:
AG000WP8
Chemical Name:
1,3-Benzodioxole-5-carbonyl chloride, 2,2-difluoro-
CAS Number:
127163-51-3
Molecular Formula:
C8H3ClF2O3
Molecular Weight:
220.5574
MDL Number:
MFCD01631475
IUPAC Name:
2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride
InChI:
InChI=1S/C8H3ClF2O3/c9-7(12)4-1-2-5-6(3-4)14-8(10,11)13-5/h1-3H
InChI Key:
TWAYOQDEKAESKD-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)OC(O2)(F)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.556g/mol
Monoisotopic Mass:
219.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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