CAS 367-29-3 | 5-Fluoro-2-methylaniline | CAS Number 367-29-3

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367-29-3 | 5-Fluoro-2-methylaniline

CAS No: 367-29-3 Catalog No: AG003MR1 MDL No:MFCD00007764

Product Description

Catalog Number:

AG003MR1

Chemical Name:

5-Fluoro-2-methylaniline

CAS Number:

367-29-3

Molecular Formula:

C7H8FN

Molecular Weight:

125.1435

MDL Number:

MFCD00007764

IUPAC Name:

5-fluoro-2-methylaniline

InChI:

InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

InChI Key:

JLCDTNNLXUMYFQ-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)N)C

EC Number:

206-689-6

NSC Number:

60730

Properties

Complexity:

94.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

125.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

125.146g/mol

Monoisotopic Mass:

125.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Isomer selective IR-UV depletion spectroscopy of 4-fluorotoluene-NH3: evidence for π-proton-acceptor and linear hydrogen-bonded complexes.	Physical chemistry chemical physics : PCCP 20110914
The role of the methyl group in stabilising the weak N-H...pi hydrogen bond in the 4-fluorotoluene-ammonia complex.	Physical chemistry chemical physics : PCCP 20100107