Dinosam

CAT: 1596-AR-D07167-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07167-04Size:100 Units

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

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CAS Number

4097-36-3

Synonyms

2,4-dinitro-6- (pentan-2-yl) phenol

Molecular Formula

C11H14N2O5

Molecular Weight

254.24

API Name

Dinosam

Chemical Information

Dinosam

RN given refers to parent cpd

CAS Number	4097-36-3
PubChem CID	20041
IUPAC Name	2,4-dinitro-6-pentan-2-ylphenol
Molecular Formula	C11H14N2O5
Molecular Weight	254.24
XLogP	4.1
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	312

SMILES

CCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C11H14N2O5/c1-3-4-7(2)9-5-8(12(15)16)6-10(11(9)14)13(17)18/h5-7,14H,3-4H2,1-2H3

InChIKey

PSOZMUMWCXLRKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4097-36-3

CID: 20041

Formula: C11H14N2O5

MW: 254.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.24
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	254.09027155
Monoisotopic Mass	254.09027155
Topological Polar Surface Area	112 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312
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

Catalog	Name
CS-ED-01389	Dinosam