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3-Chloro-4-methylaniline

CAT: 0926-FC64322-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FC64322-01Size:1 Kg
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CAS Number
95-74-9
MDL Number
MFCD00007773
Smiles
CC1=C (C=C (C=C1) N) Cl
Molecular Formula
C7H8ClN
Molecular Weight
141.60 g/mol
Controlled
No

Chemical Information

3-Chloro-4-methylaniline

3-chloro-p-toluidine is a monochloroaniline that is p-toluidine in which one of the hydrogens that is meta to the amino group is replaced by a chlorine. It has a role as an avicide. It is a chloroaniline and a member of monochlorobenzenes. It is functionally related to a p-toluidine.

CAS Number95-74-9
PubChem CID7255
IUPAC Name3-chloro-4-methylaniline
Molecular FormulaC7H8ClN
Molecular Weight141.60
XLogP2.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey
RQKFYFNZSHWXAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-4-methylaniline
CAS: 95-74-9
CID: 7255
Formula: C7H8ClN
MW: 141.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.60
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass141.0345270
Monoisotopic Mass141.0345270
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
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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