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131395-41-0 | Phosphoramidic acid, [2-chloro-1-[hydroxy(4-nitrophenyl)methyl]ethyl]- (9CI)
CAS No: 131395-41-0 Catalog No: AG000W2V MDL No:
Product Description
Catalog Number:
AG000W2V
Chemical Name:
Phosphoramidic acid, [2-chloro-1-[hydroxy(4-nitrophenyl)methyl]ethyl]- (9CI)
CAS Number:
131395-41-0
Molecular Formula:
C9H12ClN2O6P
Molecular Weight:
310.6281
IUPAC Name:
[[3-chloro-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]amino]phosphonic acid
InChI:
InChI=1S/C9H12ClN2O6P/c10-5-8(11-19(16,17)18)9(13)6-1-3-7(4-2-6)12(14)15/h1-4,8-9,13H,5H2,(H3,11,16,17,18)
InChI Key:
VSPRCVVMXQTDNN-UHFFFAOYSA-N
SMILES:
ClCC(C(c1ccc(cc1)[N+](=O)[O-])O)NP(=O)(O)O
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.627g/mol
Monoisotopic Mass:
310.012g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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