CAS 87-63-8 | 2-Chloro-6-Methylaniline | CAS Number 87-63-8

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87-63-8 | 2-Chloro-6-Methylaniline

CAS No: 87-63-8 Catalog No: AG00338W MDL No:MFCD00007679

Product Description

Catalog Number:

AG00338W

Chemical Name:

2-Chloro-6-Methylaniline

CAS Number:

87-63-8

Molecular Formula:

C7H8ClN

Molecular Weight:

141.5981

MDL Number:

MFCD00007679

IUPAC Name:

2-chloro-6-methylaniline

InChI:

InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3

InChI Key:

WFNLHDJJZSJARK-UHFFFAOYSA-N

SMILES:

Nc1c(C)cccc1Cl

EC Number:

201-759-2

UNII:

76F11RQ7TB

NSC Number:

60121

Properties

Complexity:

94.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

141.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

141.598g/mol

Monoisotopic Mass:

141.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090301