Cas no 1742-36-5 ( )
structure
Product Name:
CAS No:1742-36-5
MF:C12H17ClO
MW:212.715782880783
CID:906082
PubChem ID:352700
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3-[(4-chlorophenyl)methyl]pentan-3-ol
- AC1L70VL
- NSC527567
- NSC-527567
- DS-014002
- DTXSID40326392
- 1742-36-5
-
-
- Inchi: 1S/C12H17ClO/c1-3-12(14,4-2)9-10-5-7-11(13)8-6-10/h5-8,14H,3-4,9H2,1-2H3
- InChI Key: BAQMYFGNSSSZDZ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)CC(CC)(CC)O
Computed Properties
- Exact Mass: 212.09691
- Monoisotopic Mass: 212.097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 158
- 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: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.075
- Boiling Point: 297.4°C at 760 mmHg
- Flash Point: 133.6°C
- Refractive Index: 1.526
- PSA: 20.23
- LogP: 3.43360
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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