Balsalazide Impurity 5

CAT: 1299-RM-B191205-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-B191205-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1242567-09-4

Synonyms

(E) -3- ((4- ((2-carboxyethyl) carbamoyl) phenyl) diazenyl) -2-hydroxybenzoic acid

Molecular Formula

C17H15N3O6

Molecular Weight

357.32

Target Alternative Name

Balsalazide

Product Name Synonym

(E) -3- ((4- ((2-carboxyethyl) carbamoyl) phenyl) diazenyl) -2-hydroxybenzoic acid

Chemical Information

Balsalazide 3-Isomer

CAS Number	1242567-09-4
PubChem CID	135565701
IUPAC Name	3-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid
Molecular Formula	C17H15N3O6
Molecular Weight	357.32
XLogP	2.2
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	545

SMILES

C1=CC(=C(C(=C1)N=NC2=CC=C(C=C2)C(=O)NCCC(=O)O)O)C(=O)O

InChI

InChI=1S/C17H15N3O6/c21-14(22)8-9-18-16(24)10-4-6-11(7-5-10)19-20-13-3-1-2-12(15(13)23)17(25)26/h1-7,23H,8-9H2,(H,18,24)(H,21,22)(H,25,26)

InChIKey

PBNQWLIZMZLIBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1242567-09-4

CID: 135565701

Formula: C17H15N3O6

MW: 357.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.32
XLogP3	2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	357.09608521
Monoisotopic Mass	357.09608521
Topological Polar Surface Area	149 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	545
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

Catalog	Name
RM-B191204-01	Balsalazide Impurity 4
RM-B191209-01	Balsalazide Impurity 9
RM-B191214-01	Balsalazide Impurity 14
RM-B191206-01	Balsalazide Impurity 6
RM-B191208-01	Balsalazide Impurity 8
RM-B191203-01	Balsalazide Aminobenzoyl Impurity
RM-B191213-01	Balsalazide Impurity 13
RM-B191211-01	Balsalazide Impurity 11
RM-B191207-01	Balsalazide Impurity 7
RM-B191212-01	Balsalazide Impurity 12