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2-amino-5-methylphenylphosphonic acid

2-amino-5-methylphenylphosphonic acid

CAS: 69675-98-5

Formula: C7H10NO3P

SMILES: CC1=CC=C(N)C(=C1)P(O)(O)=O

IUPAC: (2-amino-5-methylphenyl)phosphonic acid

InChI: InChI=1S/C7H10NO3P/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)

Composition: C (44.93%), H (5.39%), N (7.48%), O (25.65%), P (16.55%)

Molar Mass: 187.135

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.039830184
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WFEPUKFABWDABK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.99
Topological Polar Surface Area 83.55
Polarizability 17.45
Ring Count 1
Rotatable Bond Count 1

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