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pentabromo-N-(pentabromophenyl)aniline

HCID 3020177
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
84852-54-0
Standard SMILES
Brc1c(Br)c(Br)c(Nc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
InChIKey
OQXYDDOXOUGYNX-UHFFFAOYSA-N
Molecular formula
C12HBr10N
Average molar mass
958.2 g/mol
Monoisotopic mass
948.1943

Names & identifiers

Preferred name
pentabromo-N-(pentabromophenyl)aniline
IUPAC
2,3,4,5,6-pentabromo-N-(2,3,4,5,6-pentabromophenyl)aniline
English name
pentabromo-N-(pentabromophenyl)aniline
Molecular formula
C12HBr10N
Molecular weight
958.18

Names & synonyms

Pentabromo-N-(pentabromophenyl)anilineBTG6F5YD7SEINECS 284-367-42,3,4,5,6-pentabromo-N-(2,3,4,5,6-pentabromophenyl)anilineDTXSID40233911Benzenamine, 2,3,4,5,6-pentabromo-N-(pentabromophenyl)-2,3,4,5,6-PENTABROMO-N-(2,3,4,5,6-PENTABROMOPHENYL)BENZENAMINEBENZENAMINE, 2,3,4,5,6-PENTABROMO-N-(2,3,4,5,6-PENTABROMOPHENYL)-RefChem:171287DTXCID70156402284-367-484852-54-0
Show more names
2,3,4,5,6-Pentabromo-N-(pentabromophenyl)benzenamine
UNII-BTG6F5YD7SSCHEMBL1686408SCHEMBL4087977OQXYDDOXOUGYNX-UHFFFAOYSA-NNS000386872,3,4,5,6-PENTABROMO-N-(PENTABROMOPHENYL)ANILINE

Database identifiers

CAS
84852-54-0
PubChem CID
3020177
DTXSID
DTXSID40233911
UNII
BTG6F5YD7S
EC Number
284-367-4
Nikkaji
J333.573I

Properties

Computed structural properties

XLogP
10.4
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
23
Formal charge
0
Complexity
345

Physicochemical properties

FDA UNII
6 F5YD7S · BTG6F5YD7S

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes