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3-Chloro-2-aminobenzamide

CAT: 0127-OR1046567-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1046567-01Size:100 mg
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CAS Number
18343-44-7
MDL Number
MFCD06797824
Purity
95%
Smiles
O=C(N)C1=CC=CC(Cl)=C1N

Chemical Information

2-Amino-3-chlorobenzamide
CAS Number18343-44-7
PubChem CID14100428
IUPAC Name2-amino-3-chlorobenzamide
Molecular FormulaC7H7ClN2O
Molecular Weight170.59
XLogP1.3
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1=CC(=C(C(=C1)Cl)N)C(=O)N
InChI
InChI=1S/C7H7ClN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
BINWIYVHWRWUSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-chlorobenzamide
CAS: 18343-44-7
CID: 14100428
Formula: C7H7ClN2O
MW: 170.59
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.0246905
Monoisotopic Mass170.0246905
Topological Polar Surface Area69.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
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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