Carbazochrome Impurity 16

CAT: 1299-RM-C013116-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C013116-01Size:10 mg

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CAS Number

2666934-59-2

Synonyms

5- (2-carbamoylhydrazineyl) -1-methyl-6-oxo-2,6-dihydro-1H-indole-2-sulfonic acid

Molecular Formula

C10H12N4O5S

Molecular Weight

300.29

Target Alternative Name

Carbazochrome

Product Name Synonym

5- (2-carbamoylhydrazineyl) -1-methyl-6-oxo-2,6-dihydro-1H-indole-2-sulfonic acid

Chemical Information

Carbazochrome Impurity 16

CAS Number	2666934-59-2
PubChem CID	176489242
IUPAC Name	5-(2-carbamoylhydrazinyl)-1-methyl-6-oxo-2H-indole-2-sulfonic acid
Molecular Formula	C10H12N4O5S
Molecular Weight	300.29
XLogP	-0.7
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	670

SMILES

CN1C(C=C2C1=CC(=O)C(=C2)NNC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2-4,9,12H,1H3,(H3,11,13,16)(H,17,18,19)

InChIKey

RAJWFNVXMDTIBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2666934-59-2

CID: 176489242

Formula: C10H12N4O5S

MW: 300.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.29
XLogP3	-0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	300.05284067
Monoisotopic Mass	300.05284067
Topological Polar Surface Area	150 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	670
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	1
Compound Is Canonicalized	Yes