1-(3-fluorobenzyl)-5-nitro-1H-indazole

HCID 21966490CAS 529508-58-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIKey
FMBVHKPWDJQLNO-UHFFFAOYSA-N
Molecular formula
C14H10FN3O2
Average molar mass
271.25 g/mol
Monoisotopic mass
271.07570478

Names & identifiers

Preferred name
1-(3-fluorobenzyl)-5-nitro-1H-indazole
IUPAC
1-[(3-fluorophenyl)methyl]-5-nitroindazole
English name
1-[(3-Fluorophenyl)methyl]-5-nitro-1H-indazole
Molecular formula
C14H10FN3O2
Molecular weight
271.25

Names & synonyms

1-(3-fluorobenzyl)-5-nitro-1H-indazole529508-58-51-[(3-FLUOROPHENYL)METHYL]-5-NITROINDAZOLEMFCD099094021-[(3-FLUOROPHENYL)METHYL]-5-NITRO-1H-INDAZOLE1H-Indazole, 1-[(3-fluorophenyl)methyl]-5-nitro-1-(3-fluorobenzyl)-5 -nitro-1H-indazoleSCHEMBL217553SCHEMBL30729901DTXSID90620953FMBVHKPWDJQLNO-UHFFFAOYSA-N5-Nitro-1-(3-fluorobenzyl)indazole
Show more names
AB3765AKOS0159177325-nitro-1-N-(3-fluorobenzyl)indazoleDS-5219SY0348301-(3-fluoro-benzyl)-5-nitro-1H-indazoleCS-04532901-[(3-fluorophenyl)methyl]-5-nitro-indazole

Database identifiers

CAS
529508-58-5
PubChem CID
21966490
DTXSID
DTXSID90620953

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
63.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Physicochemical properties

Boiling point
447.7 · 447.7±30.0 °C(Predicted)
Density
1.38 · 1.38±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
-0.82 · -0.82±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers29 total

北京华美互利生物化工010-56205725 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

Loading…

1-(3-fluorobenzyl)-5-nitro-1H-indazole (HCID 21966490)｜Huagongshe