CAS
850568-14-8 Purity
97%
850568-14-8 Purity
97%
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3-Ethoxycarbonyl-5-nitrophenylboronic acid
CAS
850568-37-5
Catalog Number
ACM850568375
Category
Boronic Acids
Molecular Weight
238.99
Molecular Formula
C9H10NO6B
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Specification
Synonyms
850568-37-5, 3-ETHOXYCARBONYL-5-NITROPHENYLBORONIC ACID, (3-ethoxycarbonyl-5-nitrophenyl)boronic acid, SBB065893, AC1MCMWE, ACMC-209q1v, (3-ethoxycarbonyl-5-nitro-phenyl)boronic Acid, SureCN6651446, CTK3E7926, MolPort-002-052-401, ANW-38033, AKOS015838799, AB15995, AG-A-03809, AG-H-41273, ETHYL 3-BORONO-5-NITROBENZOATE, RL05249, AK-45518, KB-31601, 3-Ethoxycarbonyl-5-nitrophenylboronic acid,
IUPAC Name
(3-ethoxycarbonyl-5-nitrophenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)(O)O
InChI Key
JTIBFRZYCUDXOK-UHFFFAOYSA-N
Boiling Point
449.7ºC at 760 mmHg
Melting Point
158-163ºC
Flash Point
225.8ºC
Density
1.39g/cm³
Exact Mass
239.06000
H-Bond Acceptor
6
H-Bond Donor
2
Safety Description
26-36/37/39
What is the molecular formula of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The molecular formula is C9H10BNO6.
What is the molecular weight of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The molecular weight is 238.99 g/mol.
What is the IUPAC name of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The IUPAC name is (3-ethoxycarbonyl-5-nitrophenyl)boronic acid.
What is the InChI of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The InChI is InChI=1S/C9H10BNO6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5,13-14H,2H2,1H3.
What is the InChIKey of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The InChIKey is JTIBFRZYCUDXOK-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The canonical SMILES is B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)(O)O.
What is the CAS number of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The CAS number is 850568-37-5.
What is the DSSTox Substance ID of 3-Ethoxycarbonyl-5-nitrophenylboronic acid?
The DSSTox Substance ID is DTXSID40378437.
Is 3-Ethoxycarbonyl-5-nitrophenylboronic acid a canonicalized compound?
Yes, it is canonicalized according to PubChem.
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