CAS
94-49-8 Purity
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94-49-8 Purity
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3-(Difluoromethyl)benzaldehyde
CAS
945004-44-4
Catalog Number
ACM945004444
Category
Other Products
Molecular Weight
156.1294
Molecular Formula
C8H6F2O
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Specification
Synonyms
3-(difluoromethyl)benzaldehyde, 945004-44-4, 3-Formylbenzal fluoride, MolPort-019-937-726, alpha,alpha-Difluoro-3-formyltoluene, AKOS016015286, KB-88302
IUPAC Name
3-(difluoromethyl)benzaldehyde
Canonical SMILES
C1=CC(=CC(=C1)C(F)F)C=O
InChI Key
VWWBACHLEZWOEK-UHFFFAOYSA-N
Exact Mass
156.03900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-(difluoromethyl)benzaldehyde?
The molecular formula is C8H6F2O.
What is the molecular weight of 3-(difluoromethyl)benzaldehyde?
The molecular weight is 156.13 g/mol.
What is the IUPAC name of 3-(difluoromethyl)benzaldehyde?
The IUPAC name is 3-(difluoromethyl)benzaldehyde.
What is the InChI of 3-(difluoromethyl)benzaldehyde?
The InChI is InChI=1S/C8H6F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5,8H.
What is the InChIKey of 3-(difluoromethyl)benzaldehyde?
The InChIKey is VWWBACHLEZWOEK-UHFFFAOYSA-N.
What is the canonical SMILES of 3-(difluoromethyl)benzaldehyde?
The canonical SMILES is C1=CC(=CC(=C1)C(F)F)C=O.
What is the CAS number of 3-(difluoromethyl)benzaldehyde?
The CAS number is 945004-44-4.
What is the European Community (EC) number of 3-(difluoromethyl)benzaldehyde?
The EC number is 806-028-7.
What is the XLogP3 value of 3-(difluoromethyl)benzaldehyde?
The XLogP3 value is 2.2.
Is 3-(difluoromethyl)benzaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
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