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75473-09-5 | 3-(2,3-Dichlorophenyl);-3-oxopropanenitrile
CAS No: 75473-09-5 Catalog No: AG005KQE MDL No:MFCD02260782
Product Description
Catalog Number:
AG005KQE
Chemical Name:
3-(2,3-Dichlorophenyl);-3-oxopropanenitrile
CAS Number:
75473-09-5
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
MDL Number:
MFCD02260782
IUPAC Name:
3-(2,3-dichlorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5Cl2NO/c10-7-3-1-2-6(9(7)11)8(13)4-5-12/h1-3H,4H2
InChI Key:
IIIBLZWDWAXKNN-UHFFFAOYSA-N
SMILES:
Clc1c(cccc1Cl)C(=O)CC#N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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