Cas no 920760-14-1 (Benzoic acid, 3-(bromomethyl)-2-nitro-)
920760-14-1 structure
Product Name:Benzoic acid, 3-(bromomethyl)-2-nitro-
CAS No:920760-14-1
MF:C8H6BrNO4
MW:260.041541576386
CID:747367
PubChem ID:18995546
Update Time:2025-04-19
Benzoic acid, 3-(bromomethyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(bromomethyl)-2-nitro-
- 3-(bromomethyl)-2-nitrobenzoic acid
- DTXSID10597214
- 920760-14-1
- SCHEMBL4369127
-
- Inchi： 1S/C8H6BrNO4/c9-4-5-2-1-3-6(8(11)12)7(5)10(13)14/h1-3H,4H2,(H,11,12)
- InChI Key： FOMMPVJYOGJALW-UHFFFAOYSA-N
- SMILES： BrCC1C=CC=C(C(=O)O)C=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 258.94802g/mol
- Monoisotopic Mass: 258.94802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 240
- 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: 1.8
- Topological Polar Surface Area: 83.1?2
Benzoic acid, 3-(bromomethyl)-2-nitro- 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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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