Cas no 693285-65-3 (Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]-)
![Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]- structure](https://ossimg.kuujia.com/scimg/693500/693285-65-3x500.png)
693285-65-3 structure
Product Name:Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]-
CAS No:693285-65-3
MF:C10H14BNO4
MW:223.033463001251
CID:1735267
PubChem ID:59678151
Update Time:2025-04-21
Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]-
- 6-isopropyl-2-methyl-3-nitrobenzeneboronic acid
- MMCBSFKXSGLLMZ-UHFFFAOYSA-N
- SCHEMBL61578
- DB-087744
- (6-Isopropyl-2-methyl-3-nitrophenyl)boronic acid
- 693285-65-3
-
- Inchi： 1S/C10H14BNO4/c1-6(2)8-4-5-9(12(15)16)7(3)10(8)11(13)14/h4-6,13-14H,1-3H3
- InChI Key： MMCBSFKXSGLLMZ-UHFFFAOYSA-N
- SMILES： OB(C1C(C)=C(C=CC=1C(C)C)[N+](=O)[O-])O
Computed Properties
- Exact Mass: 222.10522
- Monoisotopic Mass: 223.1015881g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 86.3?2
Experimental Properties
- PSA: 83.6
Boronic acid, [2-methyl-6-(1-methylethyl)-3-nitrophenyl]- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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