4-Methyl-2-nitrophenol

CAT: 0024-sc-238900Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238900Size:25 g

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CAS Number

119-33-5

Chemical Information

4-Methyl-2-nitrophenol

See also: Nitrocresols (annotation moved to).

CAS Number	119-33-5
PubChem CID	8391
IUPAC Name	4-methyl-2-nitrophenol
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	2.4
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=CC(=C(C=C1)O)[N+](=O)[O-]

InChI

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

InChIKey

SYDNSSSQVSOXTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-33-5

CID: 8391

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	2.4
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-225473	2-Methyl-4-nitrophenol
sc-391353	2-[ (Diethylamino) methyl]-4-nitrophenol
sc-208962	2-[ (Ethylamino) methyl]-4-nitrophenol
sc-280278	2-Iodo-4-methyl-6-nitrophenol
sc-213707	2-[ (Ethylamino) methyl]-4-nitrophenol-d5
sc-281267	2-Bromo-4-methyl-6-nitrophenol
sc-254704	4-Methyl-3-nitrophenol
sc-254506	3-Methyl-4-nitrophenol
sc-239059	5-Methyl-2-nitrophenol
sc-275034	2-Methyl-5-nitrophenol

Catalog	Name
GTR19255072-01	2-Methyl-4-nitrophenol
OR28809-01	4-Methyl-2-nitrophenol
E8603-45	2-[ (Ethylamino) methyl]-4-nitrophenol
M23070-01	4-Methyl-2-Nitrophenol 98%
272186-01	2-[ (Diethylamino) methyl]-4-nitrophenol
E898825	2-[(Ethylamino)methyl]-4-nitrophenol
281554-01	4-Methyl-3-nitrophenol
VAA29450	4-Bromo-2-methyl-6-nitrophenol
IDA34128	5-Fluoro-4-methyl-2-nitrophenol
MBS6118586-01	2-[(Ethylamino)methyl]-4-nitrophenol-d5