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698-80-6 | 4-(Chloromethyl)-1,2-difluorobenzene
CAS No: 698-80-6 Catalog No: AG005HAV MDL No:MFCD00236218
Product Description
Catalog Number:
AG005HAV
Chemical Name:
4-(Chloromethyl)-1,2-difluorobenzene
CAS Number:
698-80-6
Molecular Formula:
C7H5ClF2
Molecular Weight:
162.5644
MDL Number:
MFCD00236218
IUPAC Name:
4-(chloromethyl)-1,2-difluorobenzene
InChI:
InChI=1S/C7H5ClF2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChI Key:
VTGRVYJPIVZZGS-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)F)F
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.564g/mol
Monoisotopic Mass:
162.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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