Cas no 872495-69-7 (Borinic acid, (4-chloro-3-methylphenyl)(3-cyanophenyl)-)
872495-69-7 structure
Product Name:Borinic acid, (4-chloro-3-methylphenyl)(3-cyanophenyl)-
CAS No:872495-69-7
MF:C14H11BClNO
MW:255.507242441177
CID:658717
PubChem ID:69337957
Update Time:2025-04-19
Borinic acid, (4-chloro-3-methylphenyl)(3-cyanophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Borinic acid, (4-chloro-3-methylphenyl)(3-cyanophenyl)-
- (4-chloro-3-methylphenyl)-(3-cyanophenyl)borinic acid
- 872495-69-7
- (4-chloro-3-methylphenyl)(3-cyanophenyl)borinic acid
- DTXSID80740275
- starbld0019202
- 3-((4-chloro-3-methylphenyl)(hydroxy)boryl)benzonitrile
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- Inchi： 1S/C14H11BClNO/c1-10-7-13(5-6-14(10)16)15(18)12-4-2-3-11(8-12)9-17/h2-8,18H,1H3
- InChI Key： OSEAAXSYKSNHSS-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(B(C2C=CC=C(C#N)C=2)O)C=C1C
Computed Properties
- Exact Mass: 255.0622218g/mol
- Monoisotopic Mass: 255.0622218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 329
- 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
- Topological Polar Surface Area: 44?2
Borinic acid, (4-chloro-3-methylphenyl)(3-cyanophenyl)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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