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138949-87-8 | Acetamide, 2-bromo-N-[2-[4-(phosphonooxy)phenyl]ethyl]-
CAS No: 138949-87-8 Catalog No: AG0019WQ MDL No:
Product Description
Catalog Number:
AG0019WQ
Chemical Name:
Acetamide, 2-bromo-N-[2-[4-(phosphonooxy)phenyl]ethyl]-
CAS Number:
138949-87-8
Molecular Formula:
C10H13BrNO5P
Molecular Weight:
338.0917
IUPAC Name:
[4-[2-[(2-bromoacetyl)amino]ethyl]phenyl] dihydrogen phosphate
InChI:
InChI=1S/C10H13BrNO5P/c11-7-10(13)12-6-5-8-1-3-9(4-2-8)17-18(14,15)16/h1-4H,5-7H2,(H,12,13)(H2,14,15,16)
InChI Key:
MBGFBADQDCPNBL-UHFFFAOYSA-N
SMILES:
BrCC(=O)NCCc1ccc(cc1)OP(=O)(O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.094g/mol
Monoisotopic Mass:
336.971g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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