Cas no 19157-83-6 (3-[(4-nitrophenyl)methoxy]aniline;hydrochloride)
19157-83-6 structure
Product Name:3-[(4-nitrophenyl)methoxy]aniline;hydrochloride
CAS No:19157-83-6
MF:C13H13ClN2O3
MW:280.706922292709
CID:907821
PubChem ID:24196164
Update Time:2025-04-19
3-[(4-nitrophenyl)methoxy]aniline;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3-[(4-nitrophenyl)methoxy]aniline,hydrochloride
- 3-[(4-nitrophenyl)methoxy]aniline
- hydrochloride
- NSC211547
- NSC-211547
- 3-[(4-Nitrophenyl)methoxy]aniline--hydrogen chloride (1/1)
- 19157-83-6
- DTXSID90638790
- 3-[(4-nitrophenyl)methoxy]aniline;hydrochloride
-
- Inchi: 1S/C13H12N2O3.ClH/c14-11-2-1-3-13(8-11)18-9-10-4-6-12(7-5-10)15(16)17;/h1-8H,9,14H2;1H
- InChI Key: CHFVHAIESXZSLI-UHFFFAOYSA-N
- SMILES: Cl.O(C1C=CC=C(C=1)N)CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 244.08486
- Monoisotopic Mass: 280.0614700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 81.1?2
Experimental Properties
- PSA: 78.39
- LogP: 4.66240
3-[(4-nitrophenyl)methoxy]aniline;hydrochloride Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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