CHPG sodium salt 10mg

CAT: 0628-A21968-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A21968-10Size:10 mg

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CAS Number

1303993-73-8

Chemical Information

CHPG Sodium salt

CAS Number	1303993-73-8
PubChem CID	52974246
IUPAC Name	sodium 2-amino-2-(2-chloro-5-hydroxyphenyl)acetate
Molecular Formula	C8H7ClNNaO3
Molecular Weight	223.59
Topological Polar Surface Area	86.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

C1=CC(=C(C=C1O)C(C(=O)[O-])N)Cl.[Na+]

InChI

InChI=1S/C8H8ClNO3.Na/c9-6-2-1-4(11)3-5(6)7(10)8(12)13;/h1-3,7,11H,10H2,(H,12,13);/q;+1/p-1

InChIKey

KZRZZIISUUINJT-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 1303993-73-8

CID: 52974246

Formula: C8H7ClNNaO3

MW: 223.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.59
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.0012151
Monoisotopic Mass	223.0012151
Topological Polar Surface Area	86.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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