4-Butyl-2-nitrophenol

HCID 104353
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Basic information

CAS
52899-59-9
Standard SMILES
CCCCc1ccc(O)c([N+](=O)[O-])c1
InChIKey
YNCKBAUMTMYXSC-UHFFFAOYSA-N
Molecular formula
C10H13NO3
Average molar mass
195.21 g/mol
Monoisotopic mass
195.08954328

Names & identifiers

Preferred name
4-Butyl-2-nitrophenol
IUPAC
4-butyl-2-nitrophenol
English name
4-butyl-2-nitrophenol
Molecular formula
C10H13NO3
Molecular weight
195.22

Names & synonyms

4-Butyl-2-nitrophenol52899-59-9EINECS 258-245-6DTXSID50200937RefChem:98245DTXCID80123428258-245-64-n-butyl-2-nitrophenolD2ZYJ76T9APhenol, 4-butyl-2-nitro-SCHEMBL1025706AKOS017504532
Show more names
DA-39783NS00032609

Database identifiers

CAS
52899-59-9
PubChem CID
104353
DTXSID
DTXSID50200937
UNII
D2ZYJ76T9A
EC Number
258-245-6
Nikkaji
J295.830I

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Chemistry & industry

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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