Dinitolmide

CAT: 0127-BUP17056-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17056-02Size:500 mg

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

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CAS Number

148-01-6

Synonyms

Zoalene

Purity

=95%

Smiles

CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O

Chemical Information

Dinitolmide

Dinitolmide is a dinitrotoluene.

CAS Number	148-01-6
PubChem CID	3092
IUPAC Name	2-methyl-3,5-dinitrobenzamide
Molecular Formula	C8H7N3O5
Molecular Weight	225.16
XLogP	0.7
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	321

SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)

InChIKey

ZEFNOZRLAWVAQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148-01-6

CID: 3092

Formula: C8H7N3O5

MW: 225.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.16
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	225.03857033
Monoisotopic Mass	225.03857033
Topological Polar Surface Area	135 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321
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
B1730-5.1	Dinitolmide
HY-B1004R-01	Dinitolmide (Standard)
RM-D341003-01	Dinitolmide Impurity 3
RM-D341004-01	Dinitolmide Impurity 4
RM-D341002-01	Dinitolmide Impurity 2
RM-D341001-01	Dinitolmide Impurity 1
CABT-L4240-01	Mouse Anti-Dinitolmide monoclonal antibody, clone DNT