CAS
937371-17-0 Purity
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937371-17-0 Purity
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Benzaldehyde,3-fluoro-4-(4-methyl-1H-imidazol-1-yl)-
CAS
937400-07-2
Catalog Number
ACM937400072
Category
Other Products
Molecular Weight
204.200363 [g/mol]
Molecular Formula
C11H9FN2O
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Specification
Synonyms
3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde, 937400-07-2, CTK8C2450, ANW-68406, AKOS016007133, AK-79689, KB-74903, Benzaldehyde,3-fluoro-4-(4-methyl-1H-imidazol-1-yl)-
IUPAC Name
3-fluoro-4-(4-methylimidazol-1-yl)benzaldehyde
InChI Key
PFMQXOURKMPGNP-UHFFFAOYSA-N
Boiling Point
362.1ºC at 760 mmHg
Flash Point
172.8ºC
Density
1.21g/cm³
Exact Mass
204.07000
H-Bond Acceptor
3
H-Bond Donor
0
What is the IUPAC Name of the molecule?
3-fluoro-4-(4-methylimidazol-1-yl)benzaldehyde.
What is the InChI of the molecule?
InChI=1S/C11H9FN2O/c1-8-5-14(7-13-8)11-3-2-9(6-15)4-10(11)12/h2-7H,1H3.
What is the InChIKey of the molecule?
PFMQXOURKMPGNP-UHFFFAOYSA-N.
What is the Canonical SMILES of the molecule?
CC1=CN(C=N1)C2=C(C=C(C=C2)C=O)F.
What is the molecular weight of the molecule?
The molecular weight is 204.20 g/mol.
What is the XLogP3-AA value of the molecule?
The XLogP3-AA value is 1.6.
How many hydrogen bond donor counts does the molecule have?
The molecule has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the molecule have?
The molecule has 3 hydrogen bond acceptor count.
How many rotatable bond counts does the molecule have?
The molecule has 2 rotatable bond count.
What is the topological polar surface area of the molecule?
The topological polar surface area is 34.92.
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