Cas no 7476-59-7 (1-bromocyclohexanecarboxamide)
1-bromocyclohexanecarboxamide structure
Product Name:1-bromocyclohexanecarboxamide
CAS No:7476-59-7
MF:C7H12BrNO
MW:206.080281257629
CID:980287
PubChem ID:101117
Update Time:2025-04-19
1-bromocyclohexanecarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 1-bromocyclohexanecarboxamide
- 1-bromocyclohexane-1-carboxamide
- cyclohexanecarboxamide, 1-bromo-
- 4-09-00-00031 (Beilstein Handbook Reference)
- 7476-59-7
- DTXSID70225743
- WLN: L6TJ AVZ AE
- NSC 401788
- BRN 1935276
- L3ME9LF69C
- NSC401788
- NSC-401788
-
- Inchi： 1S/C7H12BrNO/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H2,9,10)
- InChI Key： PQAYLNLMILMHJL-UHFFFAOYSA-N
- SMILES： BrC1(C(N)=O)CCCCC1
Computed Properties
- Exact Mass: 205.01026
- Monoisotopic Mass: 205.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 1.5
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
1-bromocyclohexanecarboxamide Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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