Cas no 408307-61-9 (BENZENE, 1-BROMO-3-(1-METHYLPROPYL)-)
408307-61-9 structure
Product Name:BENZENE, 1-BROMO-3-(1-METHYLPROPYL)-
CAS No:408307-61-9
MF:C10H13Br
MW:213.114222288132
CID:3373202
PubChem ID:18417627
Update Time:2025-04-21
BENZENE, 1-BROMO-3-(1-METHYLPROPYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1-BROMO-3-(1-METHYLPROPYL)-
- 3-(sec-Butyl)bromobenzene
- 408307-61-9
- SCHEMBL2758515
- 1-bromo-3-sec-butylbenzene
- 1-bromo-3-butan-2-ylbenzene
- 1-bromo-3-(sec-butyl)benzene
-
- Inchi： 1S/C10H13Br/c1-3-8(2)9-5-4-6-10(11)7-9/h4-8H,3H2,1-2H3
- InChI Key： RUICIMSGSHYOQF-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=CC(C(C)CC)=C1
Computed Properties
- Exact Mass: 212.02006Da
- Monoisotopic Mass: 212.02006Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 111
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 0?2
BENZENE, 1-BROMO-3-(1-METHYLPROPYL)- Related Literature
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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