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98592-34-8 | Methyl 2-chloro-4-cyanobenzoate
CAS No: 98592-34-8 Catalog No: AG0036V8 MDL No:MFCD14635863
Product Description
Catalog Number:
AG0036V8
Chemical Name:
Methyl 2-chloro-4-cyanobenzoate
CAS Number:
98592-34-8
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD14635863
IUPAC Name:
methyl 2-chloro-4-cyanobenzoate
InChI:
InChI=1S/C9H6ClNO2/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-4H,1H3
InChI Key:
GLZBUNHGODEJPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)C#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:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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