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81932-03-8 | 1-Chloro-4-(difluoromethoxy);benzene
CAS No: 81932-03-8 Catalog No: AG005GB7 MDL No:MFCD09879256
Product Description
Catalog Number:
AG005GB7
Chemical Name:
1-Chloro-4-(difluoromethoxy);benzene
CAS Number:
81932-03-8
Molecular Formula:
C7H5ClF2O
Molecular Weight:
178.5638
MDL Number:
MFCD09879256
IUPAC Name:
1-chloro-4-(difluoromethoxy)benzene
InChI:
InChI=1S/C7H5ClF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChI Key:
SYJQEQBXNOPBAT-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)Cl)F
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.563g/mol
Monoisotopic Mass:
178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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