Cas no 76590-13-1 (Naphthalene, 1-chloro-4-(4-nitrophenoxy)-)
76590-13-1 structure
Product Name:Naphthalene, 1-chloro-4-(4-nitrophenoxy)-
CAS No:76590-13-1
MF:C16H10ClNO3
MW:299.708503246307
CID:537560
PubChem ID:13245958
Update Time:2025-04-19
Naphthalene, 1-chloro-4-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1-chloro-4-(4-nitrophenoxy)-
- 1-chloro-4-(4-nitrophenoxy)naphthalene
- SCHEMBL10963014
- 76590-13-1
- DTXSID20531664
-
- Inchi： 1S/C16H10ClNO3/c17-15-9-10-16(14-4-2-1-3-13(14)15)21-12-7-5-11(6-8-12)18(19)20/h1-10H
- InChI Key： ZLDPOHAKONFWBU-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2=CC=CC=C21)OC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 299.035
- Monoisotopic Mass: 299.0349209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 365
- 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: 5.4
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Naphthalene, 1-chloro-4-(4-nitrophenoxy)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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