Cas no 2761-72-0 (Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester)
2761-72-0 structure
Product Name:Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester
CAS No:2761-72-0
MF:C10H9ClO2
MW:196.630262136459
CID:238252
PubChem ID:19829035
Update Time:2025-04-19
Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester
- (4-prop-1-en-2-ylphenyl) carbonochloridate
- 4-(Prop-1-en-2-yl)phenyl carbonochloridate
- SCHEMBL7061315
- 2761-72-0
- DTXSID60600404
-
- 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)OC1C=CC(=CC=1)C(=C)C
Computed Properties
- Exact Mass: 196.02917
- Monoisotopic Mass: 196.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Carbonochloridic acid, 4-(1-methylethenyl)phenyl ester Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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