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1266114-64-0 | 2-Chloromethyl-1,3-difluoro-5-methyl-benzene
CAS No: 1266114-64-0 Catalog No: AG01FALX MDL No:
Product Description
Catalog Number:
AG01FALX
Chemical Name:
2-Chloromethyl-1,3-difluoro-5-methyl-benzene
CAS Number:
1266114-64-0
Molecular Formula:
C8H7ClF2
Molecular Weight:
176.5910
IUPAC Name:
2-(chloromethyl)-1,3-difluoro-5-methylbenzene
InChI:
InChI=1S/C8H7ClF2/c1-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3
InChI Key:
CXUSOAHUFFVMAL-UHFFFAOYSA-N
SMILES:
ClCc1c(F)cc(cc1F)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.591g/mol
Monoisotopic Mass:
176.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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