Cas no 6087-01-0 ((2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one)
![(2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one structure](https://ossimg.kuujia.com/scimg/6500/6087-01-0x500.png)
6087-01-0 structure
Product Name:(2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one
CAS No:6087-01-0
MF:C16H14BrNO
MW:316.19246339798
CID:1623890
PubChem ID:2267831
Update Time:2025-04-21
(2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- (2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one
- BIM-0030508.P001
- HMS2822D05
- AKOS040894913
- 6087-01-0
- SMR000496888
- 3-[(4-bromo-3-methylphenyl)amino]-1-phenyl-2-propen-1-one
- STL583699
- CHEMBL1493993
- MLS001001232
-
- Inchi： 1S/C16H14BrNO/c1-12-11-14(7-8-15(12)17)18-10-9-16(19)13-5-3-2-4-6-13/h2-11,18H,1H3/b10-9+
- InChI Key： DFUPWOOQMQSUNB-MDZDMXLPSA-N
- SMILES： BrC1=CC=C(C=C1C)N/C=C/C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 315.02592
- Monoisotopic Mass: 315.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
(2E)-3-[(4-bromo-3-methylphenyl)amino]-1-phenylprop-2-en-1-one Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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