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2476-37-1 | Ethanone, 1-(2,5-dichlorophenyl)-
CAS No: 2476-37-1 Catalog No: AG002PDP MDL No:MFCD00000607
Product Description
Catalog Number:
AG002PDP
Chemical Name:
Ethanone, 1-(2,5-dichlorophenyl)-
CAS Number:
2476-37-1
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD00000607
IUPAC Name:
1-(2,5-dichlorophenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChI Key:
CYNFEPKQDJHIMV-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)C)Cl
EC Number:
219-605-8
NSC Number:
6308
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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