Cas no 913532-36-2 (4-(3-Hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester)
913532-36-2 structure
Product Name:4-(3-Hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester
CAS No:913532-36-2
MF:C16H16N2O5
MW:316.308644294739
CID:2142804
Update Time:2023-08-04
4-(3-Hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 4-(3-hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester
- JSDATNIOVPHMHM-UHFFFAOYSA-N
- 4-(3-Hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester
-
- Inchi： 1S/C16H16N2O5/c1-2-23-16(20)12-6-7-14(15(9-12)18(21)22)17-13-5-3-4-11(8-13)10-19/h3-9,17,19H,2,10H2,1H3
- InChI Key： JSDATNIOVPHMHM-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=C(C=1)[N+](=O)[O-])NC1=CC=CC(CO)=C1)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 412
- Topological Polar Surface Area: 104
4-(3-Hydroxymethyl-phenylamino)-3-nitro-benzoic acid ethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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