Cas no 119529-48-5 (Benzenediazonium,4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1))
119529-48-5 structure
Product Name:Benzenediazonium,4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1)
CAS No:119529-48-5
MF:C14H11Cl2N3O
MW:308.162640810013
CID:191967
Update Time:2024-01-25
Benzenediazonium,4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenediazonium,4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1)
- 4-benzamido-2-chloro-5-methylbenzenediazonium,chloride
- Benzenediazonium, 4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1)
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- Inchi： 1S/C14H10ClN3O.ClH/c1-9-7-13(18-16)11(15)8-12(9)17-14(19)10-5-3-2-4-6-10;/h2-8H,1H3;1H
- InChI Key： WTNHNWIPTMEJCE-UHFFFAOYSA-N
- SMILES： N(C1C=C(Cl)C([N+]#N)=CC=1C)C(C1C=CC=CC=1)=O.[Cl-]
Computed Properties
- Exact Mass: 295.942
- Monoisotopic Mass: 307.027917
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 372
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.2
Experimental Properties
- PSA: 59.32
Benzenediazonium,4-(benzoylamino)-2-chloro-5-methyl-, chloride (1:1) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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