4-Isopropyl-2-nitrophenol

CAT: 0127-OR1048247-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1048247-01Size:100 mg

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CAS Number

1576-10-9

Purity

95%

Smiles

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

Chemical Information

2-Nitro-4-(propan-2-yl)phenol

CAS Number	1576-10-9
PubChem CID	528966
IUPAC Name	2-nitro-4-propan-2-ylphenol
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	3.3
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	188

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3

InChIKey

QYODOKUESLGDSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1576-10-9

CID: 528966

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188
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
OR75217-01	2-Isopropyl-4-nitrophenol
OR25535-01	2-Isopropyl-6-nitrophenol
OR400220-01	4-Iodo-2-nitrophenol
OR45113-01	2-Iodo-4-nitrophenol
OR8348	4- (Ethylsulphonyl) -2-nitrophenol
OR8235	4-Chloro-2-nitrophenol
PC3978-01	4-Fluoro-2-nitrophenol
OR28809-01	4-Methyl-2-nitrophenol
BIB1176	2-Bromoacetamido-4-nitrophenol
OR8261-01	2-Methyl-4-nitrophenol