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2-chloro-3-methylbenzamide

CAT: 0127-OR1098621Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
857000-86-3
MDL Number
MFCD09753715
Smiles
C1 (cccc (c1Cl) C) C (=O) N

Chemical Information

2-Chloro-3-methylbenzamide
CAS Number857000-86-3
PubChem CID53414283
IUPAC Name2-chloro-3-methylbenzamide
Molecular FormulaC8H8ClNO
Molecular Weight169.61
XLogP1.8
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
CC1=C(C(=CC=C1)C(=O)N)Cl
InChI
InChI=1S/C8H8ClNO/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
TXBQSSIKHGLLKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-methylbenzamide
CAS: 857000-86-3
CID: 53414283
Formula: C8H8ClNO
MW: 169.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.61
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.0294416
Monoisotopic Mass169.0294416
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
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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