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1379331-67-5 | 4-Chloro-3-ethylbenzoyl chloride
CAS No: 1379331-67-5 Catalog No: AG01FEOP MDL No:
Product Description
Catalog Number:
AG01FEOP
Chemical Name:
4-Chloro-3-ethylbenzoyl chloride
CAS Number:
1379331-67-5
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
IUPAC Name:
4-chloro-3-ethylbenzoyl chloride
InChI:
InChI=1S/C9H8Cl2O/c1-2-6-5-7(9(11)12)3-4-8(6)10/h3-5H,2H2,1H3
InChI Key:
ZVGMNIBWKBIFFC-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(=O)Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.062g/mol
Monoisotopic Mass:
201.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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