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276875-21-9 | Benzenemethanamine, 3,4-difluoro-α-methyl-
CAS No: 276875-21-9 Catalog No: AG002UGE MDL No:MFCD04116333
Product Description
Catalog Number:
AG002UGE
Chemical Name:
Benzenemethanamine, 3,4-difluoro-α-methyl-
CAS Number:
276875-21-9
Molecular Formula:
C8H9F2N
Molecular Weight:
157.1606
MDL Number:
MFCD04116333
IUPAC Name:
1-(3,4-difluorophenyl)ethanamine
InChI:
InChI=1S/C8H9F2N/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5H,11H2,1H3
InChI Key:
AESHLRAPTJZOJL-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)F)F)N
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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