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15930-84-4

15930-84-4 | Phosphoric acid, monomethyl mono(3-methyl-4-nitrophenyl) ester

CAS No: 15930-84-4 Catalog No: AG001QM6 MDL No:

Product Description

Catalog Number:
AG001QM6
Chemical Name:
Phosphoric acid, monomethyl mono(3-methyl-4-nitrophenyl) ester
CAS Number:
15930-84-4
Molecular Formula:
C8H9NO6P-
Molecular Weight:
246.1339
IUPAC Name:
methyl (3-methyl-4-nitrophenyl) hydrogen phosphate
InChI:
InChI=1S/C8H10NO6P/c1-6-5-7(15-16(12,13)14-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,12,13)
InChI Key:
PFGNIZHUAOEYKD-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])[O-]

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.143g/mol
Monoisotopic Mass:
247.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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