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1035574-30-1 | Benzene, 1-(chloromethyl)-2,3-difluoro-4-methyl-
CAS No: 1035574-30-1 Catalog No: AG01F9EX MDL No:
Product Description
Catalog Number:
AG01F9EX
Chemical Name:
Benzene, 1-(chloromethyl)-2,3-difluoro-4-methyl-
CAS Number:
1035574-30-1
Molecular Formula:
C8H7ClF2
Molecular Weight:
176.5910
IUPAC Name:
1-(chloromethyl)-2,3-difluoro-4-methylbenzene
InChI:
InChI=1S/C8H7ClF2/c1-5-2-3-6(4-9)8(11)7(5)10/h2-3H,4H2,1H3
InChI Key:
UDJHUIXRYSKPCM-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1F)F)C
Properties
Complexity:
129
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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