Cas no 81007-64-9 (2-Heptanol, 1-chloro-, (2S)-)
2-Heptanol, 1-chloro-, (2S)- structure
Product Name:2-Heptanol, 1-chloro-, (2S)-
CAS No:81007-64-9
MF:C7H15ClO
MW:150.646401643753
CID:704671
PubChem ID:12738743
Update Time:2025-04-19
2-Heptanol, 1-chloro-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanol, 1-chloro-, (2S)-
- (S)-1-chloro-2-heptanol
- (S)-1-CHLOROHEPTAN-2-OL
- 81007-64-9
- DTXSID20508578
- (2S)-1-CHLOROHEPTAN-2-OL
- SCHEMBL5606059
-
- Inchi： 1S/C7H15ClO/c1-2-3-4-5-7(9)6-8/h7,9H,2-6H2,1H3/t7-/m0/s1
- InChI Key： PLOHTJPTRQIWDY-ZETCQYMHSA-N
- SMILES： ClC[C@H](CCCCC)O
Computed Properties
- Exact Mass: 150.08100
- Monoisotopic Mass: 150.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 56.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 2.16640
2-Heptanol, 1-chloro-, (2S)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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