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1260742-57-1 | Benzene, 4-(2-chloroethyl)-2-fluoro-1-methyl-
CAS No: 1260742-57-1 Catalog No: AG000R43 MDL No:MFCD11110147
Product Description
Catalog Number:
AG000R43
Chemical Name:
Benzene, 4-(2-chloroethyl)-2-fluoro-1-methyl-
CAS Number:
1260742-57-1
Molecular Formula:
C9H10ClF
Molecular Weight:
172.6271
MDL Number:
MFCD11110147
IUPAC Name:
4-(2-chloroethyl)-2-fluoro-1-methylbenzene
InChI:
InChI=1S/C9H10ClF/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6H,4-5H2,1H3
InChI Key:
XZKXXBJDPGKCMC-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(c(c1)F)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.627g/mol
Monoisotopic Mass:
172.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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