CAS
92075-58-6 Purity
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92075-58-6 Purity
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6-(Bromomethyl)-4-pyrimidinecarboxylic acid
CAS
920760-21-0
Catalog Number
ACM920760210
Category
Other Products
Molecular Weight
217.020100 [g/mol]
Molecular Formula
C6H5BrN2O2
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Specification
Synonyms
SureCN4373472, CTK3G2935, 4-Pyrimidinecarboxylic acid, 6-(bromomethyl)-, 920760-21-0
IUPAC Name
6-(bromomethyl)pyrimidine-4-carboxylic acid
SMILES
C1=C(N=CN=C1CBr)C(=O)O
InChI Key
LMONDLCFUQIOME-UHFFFAOYSA-N
Exact Mass
215.95300
H-Bond Acceptor
4
H-Bond Donor
1
What is the PubChem CID of the compound?
PubChem CID 57944073
What is the molecular formula of the compound?
The molecular formula is C6H5BrN2O2.
What is the molecular weight of the compound?
The molecular weight is 217.02 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 6-(bromomethyl)pyrimidine-4-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C6H5BrN2O2/c7-2-4-1-5(6(10)11)9-3-8-4/h1,3H,2H2,(H,10,11).
What is the InChIKey of the compound?
The InChIKey is LMONDLCFUQIOME-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=C(N=CN=C1C(=O)O)CBr.
What is the CAS number of the compound?
The CAS number is 920760-21-0.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 0.7.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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