2-Nitro-5-(piperidin-1-yl)benzoic acid

HCID 14459331CAS 118159-39-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]
InChIKey
RPNHCXPJSUGRAB-UHFFFAOYSA-N
Molecular formula
C12H14N2O4
Average molar mass
250.25 g/mol
Monoisotopic mass
250.09535693

Names & identifiers

Preferred name
2-Nitro-5-(piperidin-1-yl)benzoic acid
IUPAC
2-nitro-5-piperidin-1-ylbenzoic acid
English name
2-nitro-5-(piperidin-1-yl)benzoic acid
Molecular formula
C12H14N2O4
Molecular weight
250.25

Names & synonyms

118159-39-02-Nitro-5-(piperidin-1-yl)benzoic acid2-Nitro-5-piperidinobenzenecarboxylic acid2-nitro-5-piperidin-1-ylbenzoic acid2-Nitro-5-piperidin-1-yl-benzoic acidMFCD097874962965AA2-Nitro-5-(piperidin-1-yl)benzoicacidSCHEMBL401102-nitro-5-piperidinobenzoic acidDTXSID00560598RPNHCXPJSUGRAB-UHFFFAOYSA-N
Show more names
Benzoic acid, 2-nitro-5-(1-piperidinyl)-
2-nitro-5-(1-piperidyl)benzoic acidAKOS000214822BD-0716SB31048DA-17340

Database identifiers

CAS
118159-39-0
PubChem CID
14459331
DTXSID
DTXSID00560598

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
86.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

HS Code
2933399990 · 2933399990

Safety & regulation

Safety data

hs_code
2933399990

Chemistry & industry

Suppliers6 total

HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
合肥宇乐医药科技有限公司18756548891 15955174703 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
浙江泽天精细化工有限公司0571-87682782 18957127338 · [email protected]
上海智乾生物科技有限公司[email protected]

Related reactions

12 records
New reaction record

Linked notes

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