Phenylphosphoramidic acid

CAT: 1299-RG-P251838-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P251838-01Size:10 mg

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CAS Number

1445-36-9

Synonyms

Phenylphosphoramidic acid

Molecular Formula

C6H8NO3P

Molecular Weight

173.11

Chemical Information

Phenylphosphoramidic acid

CAS Number	1445-36-9
PubChem CID	11277334
IUPAC Name	anilinophosphonic acid
Molecular Formula	C6H8NO3P
Molecular Weight	173.11
XLogP	0.3
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C1=CC=C(C=C1)NP(=O)(O)O

InChI

InChI=1S/C6H8NO3P/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5H,(H3,7,8,9,10)

InChIKey

MHDLAWFYLQAULB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1445-36-9

CID: 11277334

Formula: C6H8NO3P

MW: 173.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.11
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	173.02418011
Monoisotopic Mass	173.02418011
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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