2-Methyl-1-nitronaphthalene

CAT: 0127-OR30395-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR30395-01Size:5 g

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CAS Number

881-03-8

MDL Number

MFCD00003914

Purity

99%

Smiles

Cc1ccc2ccccc2c1[N+](=O)[O-]

Chemical Information

2-Methyl-1-nitronaphthalene

1-nitro-2-methylnaphthalene is a yellow solid. (NTP, 1992)

CAS Number	881-03-8
PubChem CID	13432
IUPAC Name	2-methyl-1-nitronaphthalene
Molecular Formula	C11H9NO2
Molecular Weight	187.19
XLogP	3.4
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	224

SMILES

CC1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3

InChIKey

IZNWACYOILBFEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 881-03-8

CID: 13432

Formula: C11H9NO2

MW: 187.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.19
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	187.063328530
Monoisotopic Mass	187.063328530
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
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
OR918208-01	1-Methyl-4-nitronaphthalene
OR1034167-01	1-Bromo-2-methyl-8-nitronaphthalene
OR948091-01	2-Nitronaphthalene
OR26190-01	2-Methoxy-1-nitronaphthalene
OR92283-01	1-Bromo-2-nitronaphthalene
PC1001360-01	1-Fluoro-2-nitronaphthalene
OR1884-01	1-Nitronaphthalene
OR340040	2-Isopropyl-3-nitronaphthalene
OR90820-01	1-Chloro-4-nitronaphthalene
OR3179-01	1-Bromo-5-nitronaphthalene

Catalog	Name
sc-230498	2-Methyl-1-nitronaphthalene
DDA50871-01	Methyl 1-nitronaphthalene-2-carboxylate
M22990-01	2-Methyl-1-nitronaphthalene 98%
abx186149-01	1-Methyl-4-nitronaphthalene
NCA01786-01	4-Bromo-1-methyl-2-nitronaphthalene
418955-01	2-Nitronaphthalene
JH917975	1-fluoro-2-nitronaphthalene
sc-356481A	2-Methoxy-1-nitronaphthalene
591644	1-Nitronaphthalene
JH914837	2-fluoro-1-nitronaphthalene