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2761-72-0 | Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester
CAS No: 2761-72-0 Catalog No: AG002U8O MDL No:MFCD28676781
Product Description
Catalog Number:
AG002U8O
Chemical Name:
Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester
CAS Number:
2761-72-0
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD28676781
IUPAC Name:
(4-prop-1-en-2-ylphenyl) carbonochloridate
InChI:
InChI=1S/C10H9ClO2/c1-7(2)8-3-5-9(6-4-8)13-10(11)12/h3-6H,1H2,2H3
InChI Key:
QNZWAGASOUVTAF-UHFFFAOYSA-N
SMILES:
ClC(=O)Oc1ccc(cc1)C(=C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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