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96315-08-1 Purity
96%
96315-08-1 Purity
96%
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Ethyl 4-(bromomethyl)-3-nitrobenzoate
CAS
96315-16-1
Catalog Number
ACM96315161
Category
Other Products
Molecular Weight
288.094700 [g/mol]
Molecular Formula
C10H10BrNO4
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Specification
Synonyms
AGN-PC-00NKNO, SureCN4262486, ethyl 4-(bromomethyl)-3-nitrobenzoate, KB-51172, Benzoic acid, 4-(bromomethyl)-3-nitro-, ethyl ester, 96315-16-1
IUPAC Name
ethyl 4-(bromomethyl)-3-nitrobenzoate
Canonical SMILES
CCOC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-]
InChI Key
PIMARRUOUZIQAS-UHFFFAOYSA-N
Exact Mass
286.97900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The molecular formula of ethyl 4-(bromomethyl)-3-nitrobenzoate is C10H10BrNO4.
When was ethyl 4-(bromomethyl)-3-nitrobenzoate first created on PubChem?
Ethyl 4-(bromomethyl)-3-nitrobenzoate was first created on PubChem on February 8, 2007.
What is the IUPAC name of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The IUPAC name of ethyl 4-(bromomethyl)-3-nitrobenzoate is ethyl 4-(bromomethyl)-3-nitrobenzoate.
What is the InChI of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The InChI of ethyl 4-(bromomethyl)-3-nitrobenzoate is InChI=1S/C10H10BrNO4/c1-2-16-10(13)7-3-4-8(6-11)9(5-7)12(14)15/h3-5H,2,6H2,1H3.
How many hydrogen bond acceptors does ethyl 4-(bromomethyl)-3-nitrobenzoate have?
Ethyl 4-(bromomethyl)-3-nitrobenzoate has 4 hydrogen bond acceptors.
What is the XLogP3-AA value of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The XLogP3-AA value of ethyl 4-(bromomethyl)-3-nitrobenzoate is 2.5.
What is the exact mass of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The exact mass of ethyl 4-(bromomethyl)-3-nitrobenzoate is 286.97932 g/mol.
How many rotatable bonds does ethyl 4-(bromomethyl)-3-nitrobenzoate have?
Ethyl 4-(bromomethyl)-3-nitrobenzoate has 4 rotatable bonds.
Is ethyl 4-(bromomethyl)-3-nitrobenzoate a canonicalized compound?
Yes, ethyl 4-(bromomethyl)-3-nitrobenzoate is a canonicalized compound.
What is the topological polar surface area of ethyl 4-(bromomethyl)-3-nitrobenzoate?
The topological polar surface area of ethyl 4-(bromomethyl)-3-nitrobenzoate is 72.1 Å2.
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