CAS
90845-56-0 Purity
96%
90845-56-0 Purity
96%
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3-Chloro-N-(3-fluoro-4-methylphenyl)propanamide
CAS
908494-81-5
Catalog Number
ACM908494815
Category
Other Products
Molecular Weight
215.65
Molecular Formula
C10H11ClFNO
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Specification
Synonyms
Ambnee9070756, MolPort-004-301-469, ALBB-003600, STK482587, ZINC13322879, 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide, 908494-81-5
IUPAC Name
3-chloro-N-(3-fluoro-4-methylphenyl)propanamide
Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)CCCl)F
InChI Key
ZULMRTGDQRGKGL-UHFFFAOYSA-N
Boiling Point
353.374ºC at 760 mmHg
Flash Point
167.515ºC
Density
1.262g/cm³
Exact Mass
215.05100
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
1
What is the IUPAC name of the compound?
3-chloro-N-(3-fluoro-4-methylphenyl)propanamide
What is the molecular formula of the compound?
C10H11ClFNO
What is the molecular weight of the compound?
215.65 g/mol
What is the InChIKey of the compound?
ZULMRTGDQRGKGL-UHFFFAOYSA-N
How many hydrogen bond donor counts are there in the compound?
1
What is the topological polar surface area of the compound?
29.1 Ų
Is the compound canonicalized?
Yes
What is the XLogP3-AA value of the compound?
2.1
How many rotatable bond counts are there in the compound?
3
What is the formal charge of the compound?
0
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