Cas no 109115-09-5 (Benzene, 2-(bromomethyl)-4-chloro-3,5-dimethyl-1-nitro-)
109115-09-5 structure
Product Name:Benzene, 2-(bromomethyl)-4-chloro-3,5-dimethyl-1-nitro-
CAS No:109115-09-5
MF:C9H9BrClNO2
MW:278.530260801315
CID:3597793
PubChem ID:20200522
Update Time:2025-04-22
Benzene, 2-(bromomethyl)-4-chloro-3,5-dimethyl-1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(bromomethyl)-4-chloro-3,5-dimethyl-1-nitro-
- 109115-09-5
- SCHEMBL10758277
- 2-(Bromomethyl)-4-chloro-3,5-dimethyl-1-nitrobenzene
- DTXSID601217105
-
- Inchi： 1S/C9H9BrClNO2/c1-5-3-8(12(13)14)7(4-10)6(2)9(5)11/h3H,4H2,1-2H3
- InChI Key： PRWHHVWBMYEGBG-UHFFFAOYSA-N
- SMILES： BrCC1C(=CC(C)=C(C=1C)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 276.95052Da
- Monoisotopic Mass: 276.95052Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 221
- 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: 3.7
- Topological Polar Surface Area: 45.8?2
Benzene, 2-(bromomethyl)-4-chloro-3,5-dimethyl-1-nitro- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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