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820208-50-2 | Guanidine, [3-[(phosphonooxy)methyl]phenyl]-
CAS No: 820208-50-2 Catalog No: AG004YTZ MDL No:
Product Description
Catalog Number:
AG004YTZ
Chemical Name:
Guanidine, [3-[(phosphonooxy)methyl]phenyl]-
CAS Number:
820208-50-2
Molecular Formula:
C8H12N3O4P
Molecular Weight:
245.1723
IUPAC Name:
[3-(diaminomethylideneamino)phenyl]methyl dihydrogen phosphate
InChI:
InChI=1S/C8H12N3O4P/c9-8(10)11-7-3-1-2-6(4-7)5-15-16(12,13)14/h1-4H,5H2,(H4,9,10,11)(H2,12,13,14)
InChI Key:
USIPEYFLVYHCFW-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1cccc(c1)COP(=O)(O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.175g/mol
Monoisotopic Mass:
245.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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