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847502-90-3 | 2,4-Difluoro-3-methylbenzylamine
CAS No: 847502-90-3 Catalog No: AG004OYA MDL No:MFCD08275293
Product Description
Catalog Number:
AG004OYA
Chemical Name:
2,4-Difluoro-3-methylbenzylamine
CAS Number:
847502-90-3
Molecular Formula:
C8H9F2N
Molecular Weight:
157.1606
MDL Number:
MFCD08275293
IUPAC Name:
(2,4-difluoro-3-methylphenyl)methanamine
InChI:
InChI=1S/C8H9F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,4,11H2,1H3
InChI Key:
LPMVSOQQHWTDRH-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1F)C)F
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.164g/mol
Monoisotopic Mass:
157.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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