CAS
915923-46-5 Purity
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915923-46-5 Purity
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3-Chloro-N-(3,5-dimethoxyphenyl)propanamide
CAS
915923-51-2
Catalog Number
ACM915923512
Category
Other Products
Molecular Weight
243.686760 [g/mol]
Molecular Formula
C11H14ClNO3
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Specification
Synonyms
3-chloro-N-(3,5-dimethoxyphenyl)propanamide, 915923-51-2, Ambcb9071736, CTK5H0098, MolPort-004-318-922, ZINC19094364, AKOS000160267, AG-H-76123
IUPAC Name
3-chloro-N-(3,5-dimethoxyphenyl)propanamide
SMILES
COC1=CC(=CC(=C1)NC(=O)CCCl)OC
InChI Key
FWJIKACTNJJWAJ-UHFFFAOYSA-N
Boiling Point
425.6ºC at 760 mmHg
Flash Point
211.2ºC
Density
1.228g/cm³
Exact Mass
243.06600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound 3-Chloro-N-(3,5-dimethoxyphenyl)propanamide?
The molecular formula is C11H14ClNO3.
What is the molecular weight of the compound?
The molecular weight is 243.68 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-chloro-N-(3,5-dimethoxyphenyl)propanamide.
What is the InChI of the compound?
The InChI is InChI=1S/C11H14ClNO3/c1-15-9-5-8(6-10(7-9)16-2)13-11(14)3-4-12/h5-7H,3-4H2,1-2H3,(H,13,14).
What is the InChIKey of the compound?
The InChIKey is FWJIKACTNJJWAJ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC1=CC(=CC(=C1)NC(=O)CCCl)OC.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
It has 3 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 243.0662210 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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