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89222-21-9 | Butanoic acid, 2-amino-4-[[(4-bromophenyl)methyl]hydroxyphosphinyl]-
CAS No: 89222-21-9 Catalog No: AG0043XG MDL No:
Product Description
Catalog Number:
AG0043XG
Chemical Name:
Butanoic acid, 2-amino-4-[[(4-bromophenyl)methyl]hydroxyphosphinyl]-
CAS Number:
89222-21-9
Molecular Formula:
C11H15BrNO4P
Molecular Weight:
336.1189
IUPAC Name:
2-amino-4-[(4-bromophenyl)methyl-hydroxyphosphoryl]butanoic acid
InChI:
InChI=1S/C11H15BrNO4P/c12-9-3-1-8(2-4-9)7-18(16,17)6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)(H,16,17)
InChI Key:
OTIIWWBRLLVRRG-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCP(=O)(Cc1ccc(cc1)Br)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.122g/mol
Monoisotopic Mass:
334.992g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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