200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 182493-36-3
182493-36-3 | Alanine, 3,3-difluoro-2-methyl-N-[(phenylmethoxy)carbonyl]-
CAS No: 182493-36-3 Catalog No: AG0023XL MDL No:
Product Description
Catalog Number:
AG0023XL
Chemical Name:
Alanine, 3,3-difluoro-2-methyl-N-[(phenylmethoxy)carbonyl]-
CAS Number:
182493-36-3
Molecular Formula:
C12H13F2NO4
Molecular Weight:
273.2327
IUPAC Name:
(2R)-3,3-difluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H13F2NO4/c1-12(9(13)14,10(16)17)15-11(18)19-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChI Key:
GDEXJIVHTUQTQA-LBPRGKRZSA-N
SMILES:
FC([C@@](C(=O)O)(NC(=O)OCc1ccccc1)C)F
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.236g/mol
Monoisotopic Mass:
273.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.