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2-Nitro-7-bromonaphtho(2.1-b)furan

HCID 53423
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Basic information

CAS
75965-73-0
Standard SMILES
O=[N+]([O-])c1cc2c(ccc3cc(Br)ccc32)o1
InChIKey
UZCBYLGIIOCMPM-UHFFFAOYSA-N
Molecular formula
C12H6BrNO3
Average molar mass
292.08 g/mol
Monoisotopic mass
290.95311

Names & identifiers

Preferred name
2-Nitro-7-bromonaphtho(2.1-b)furan
IUPAC
7-bromo-2-nitrobenzo[e][1]benzofuran
English name
2-nitro-7-bromonaphtho(2.1-b)furan
Molecular formula
C12H6BrNO3
Molecular weight
292.08

Names & synonyms

75965-73-02-Nitro-7-bromonaphtho(2.1-b)furanR 7160DTXSID20226861RefChem:88691DTXCID501493527-Bromo-2-nitronaphtho(2,1-b)furanR71602-Nitro-7-bromonaphtho(2,1-b)furan7-bromo-2-nitronaphtho[2,1-b]furanNSC329224NSC-329224
Show more names
2-NITRO-7-BROMONAPHTHO(1,2-B)FURAN
Naphtho[2,1-b]furan, 7-bromo-2-nitro-NAPHTHO(2,1-b)FURAN, 7-BROMO-2-NITRO-7-bromo-2-nitrobenzo[e][1]benzofuran2-Nitro-7-bromonaphtho[2,1-b]furanNSC 329224BRN 5748450CHEMBL72008D899UAY3G

Database identifiers

CAS
75965-73-0
PubChem CID
53423
DTXSID
DTXSID20226861
ChEMBL
CHEMBL7200
UNII
8D899UAY3G
Nikkaji
J68.229B

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Formal charge
0
Complexity
319

Physicochemical properties

Melting point
250 °C · 250 °C
Boiling point
436.216 · 436.216±25.00 °C(Press: 760.00 Torr)(predicted)
Density
1.734 · 1.734±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

Related reactions

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Compound notes

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