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10145-04-7 | Benzenemethanol, α-(aminomethyl)-3,4-difluoro-
CAS No: 10145-04-7 Catalog No: AG0004IJ MDL No:MFCD09042070
Product Description
Catalog Number:
AG0004IJ
Chemical Name:
Benzenemethanol, α-(aminomethyl)-3,4-difluoro-
CAS Number:
10145-04-7
Molecular Formula:
C8H9F2NO
Molecular Weight:
173.1600
MDL Number:
MFCD09042070
IUPAC Name:
2-amino-1-(3,4-difluorophenyl)ethanol
InChI:
InChI=1S/C8H9F2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,12H,4,11H2
InChI Key:
CXJWXUGRWAXKAF-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(c(c1)F)F)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.163g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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