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N- (Chloroacetyl) -2-methoxybenzamide

CAT: 0013-GTR19267907-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267907-01Size:10 mg
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Description
N- (Chloroacetyl) -2-methoxybenzamide is a pharmaceutical intermediate utilized in the synthesis of various active compounds.
CAS Number
554423-67-5
Smiles
O=C (NC (=O) CCl) C=1C=CC=CC1OC
Molecular Formula
C10H10ClNO3
Molecular Weight
227.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-chloroacetyl)-2-methoxybenzamide
CAS Number554423-67-5
PubChem CID2366967
IUPAC NameN-(2-chloroacetyl)-2-methoxybenzamide
Molecular FormulaC10H10ClNO3
Molecular Weight227.64
XLogP1.4
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity245
SMILES
COC1=CC=CC=C1C(=O)NC(=O)CCl
InChI
InChI=1S/C10H10ClNO3/c1-15-8-5-3-2-4-7(8)10(14)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKey
ICBGINVOKCHKSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-chloroacetyl)-2-methoxybenzamide
CAS: 554423-67-5
CID: 2366967
Formula: C10H10ClNO3
MW: 227.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.64
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass227.0349209
Monoisotopic Mass227.0349209
Topological Polar Surface Area55.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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