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1-Bromo-2-nitrobenzene

Catalog Number
ACM577195
CAS Number
577-19-5
Product Name
1-Bromo-2-nitrobenzene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-bromo-2-nitrobenzene
Molecular Weight
202.01g/mol
Molecular Formula
C6H4BrNO2
Canonical SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChI Key
ORPVVAKYSXQCJI-UHFFFAOYSA-N
Boiling Point
258.0 °C
Melting Point
43.0 °C
Complexity
134
Covalently-Bonded Unit Count
1
EC Number
209-409-0
Exact Mass
200.94254g/mol
Formal Charge
0
Heavy Atom Count
10
Log P
2.52 (LogP)
MeSH Entry Terms
3-bromonitrobenzene;o-bromonitrobenzene
Monoisotopic Mass
200.94254g/mol
NSC Number
403836
Rotatable Bond Count
0
XLogP3
2.5
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