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130592-02-8 | Butanoic acid, 4-amino-2,2-difluoro-
CAS No: 130592-02-8 Catalog No: AG000UOL MDL No:MFCD01320703
Product Description
Catalog Number:
AG000UOL
Chemical Name:
Butanoic acid, 4-amino-2,2-difluoro-
CAS Number:
130592-02-8
Molecular Formula:
C4H7F2NO2
Molecular Weight:
139.1007
MDL Number:
MFCD01320703
IUPAC Name:
4-amino-2,2-difluorobutanoic acid
InChI:
InChI=1S/C4H7F2NO2/c5-4(6,1-2-7)3(8)9/h1-2,7H2,(H,8,9)
InChI Key:
IVOHCVBJBZUONM-UHFFFAOYSA-N
SMILES:
NCCC(C(=O)O)(F)F
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.102g/mol
Monoisotopic Mass:
139.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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