Cas no 461395-30-2 ()
structure
Product Name:
CAS No:461395-30-2
MF:C10H13BrN2O
MW:257.127021551132
CID:6772380
PubChem ID:2292858
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H13BrN2O/c1-2-3-4-10(14)13-9-6-5-8(11)7-12-9/h5-7H,2-4H2,1H3,(H,12,13,14)
- InChI Key： ZJCFEGZQUFZKKX-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C=C1)NC(CCCC)=O
Computed Properties
- Exact Mass: 256.02113g/mol
- Monoisotopic Mass: 256.02113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 2.4
- Topological Polar Surface Area: 42?2
Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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