3-Methyl-4-nitrophenol

CAT: 0024-sc-254506Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254506Size:100 g

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CAS Number

2581-34-2

Chemical Information

3-Methyl-4-nitrophenol

4-nitro-m-cresol is a C-nitro compound in which the nitro group is attached at C-4 of m-cresol. It is functionally related to a m-cresol.

CAS Number	2581-34-2
PubChem CID	17412
IUPAC Name	3-methyl-4-nitrophenol
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	2.5
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	154

SMILES

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

InChI

InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3

InChIKey

PIIZYNQECPTVEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2581-34-2

CID: 17412

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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
sc-254704	4-Methyl-3-nitrophenol
sc-232568	4-Chloro-3-methyl-6-nitrophenol
sc-225473	2-Methyl-4-nitrophenol
sc-238900	4-Methyl-2-nitrophenol
sc-256193	2-Methyl-3-nitrophenol
sc-216499	3-Methyl-2-nitrophenol
sc-391353	2-[ (Diethylamino) methyl]-4-nitrophenol
sc-208962	2-[ (Ethylamino) methyl]-4-nitrophenol
sc-206632	3-Bromo-4-nitrophenol
sc-231705A	3-Fluoro-4-nitrophenol