CAS
688798-62-1 Purity
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688798-62-1 Purity
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Ethyl 3-bromo-5-nitrobenzoate
CAS
690260-94-7
Catalog Number
ACM690260947
Category
Bromine Series
Molecular Weight
274.06812
Molecular Formula
C9H8 Br N O4
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Specification
Synonyms
Ethyl 3-bromo-5-nitrobenzoate, 690260-94-7, AG-G-68180, PubChem18784, ACMC-209o5j, SureCN5095881, KSC628S1R, Ethyl 3-bromo-5-nitrobenzoate;, CTK5C8918, MolPort-001-767-872, ANW-35573, OR3749, ZINC16123705, AKOS005264202, AK-72942, BR-72942, KB-51094, Benzoicacid, 3-bromo-5-nitro-, ethyl ester, W7889, I01-11032
IUPAC Name
ethyl 3-bromo-5-nitrobenzoate
Canonical SMILES
CCOC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]
InChI Key
PUBVWGDKFHIPRR-UHFFFAOYSA-N
Boiling Point
338.7ºC at 760 mmHg
Flash Point
158.6ºC
Density
1.594g/cm³
Exact Mass
272.96400
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Ethyl 3-bromo-5-nitrobenzoate?
The molecular formula of Ethyl 3-bromo-5-nitrobenzoate is C9H8BrNO4.
What are the synonyms of Ethyl 3-bromo-5-nitrobenzoate?
The synonyms of Ethyl 3-bromo-5-nitrobenzoate are 690260-94-7, MFCD09258760, Benzoic acid, 3-bromo-5-nitro-, ethyl ester, and ETHYL3-BROMO-5-NITROBENZOATE.
What is the molecular weight of Ethyl 3-bromo-5-nitrobenzoate?
The molecular weight of Ethyl 3-bromo-5-nitrobenzoate is 274.07 g/mol.
What is the IUPAC name of Ethyl 3-bromo-5-nitrobenzoate?
The IUPAC name of Ethyl 3-bromo-5-nitrobenzoate is ethyl 3-bromo-5-nitrobenzoate.
What is the InChI of Ethyl 3-bromo-5-nitrobenzoate?
The InChI of Ethyl 3-bromo-5-nitrobenzoate is InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3.
What is the InChIKey of Ethyl 3-bromo-5-nitrobenzoate?
The InChIKey of Ethyl 3-bromo-5-nitrobenzoate is PUBVWGDKFHIPRR-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 3-bromo-5-nitrobenzoate?
The Canonical SMILES of Ethyl 3-bromo-5-nitrobenzoate is CCOC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-].
What is the XLogP3 value of Ethyl 3-bromo-5-nitrobenzoate?
The XLogP3 value of Ethyl 3-bromo-5-nitrobenzoate is 3.
How many hydrogen bond donor counts does Ethyl 3-bromo-5-nitrobenzoate have?
Ethyl 3-bromo-5-nitrobenzoate has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Ethyl 3-bromo-5-nitrobenzoate have?
Ethyl 3-bromo-5-nitrobenzoate has 4 hydrogen bond acceptor count.
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