Structure

1-Bromo-2-nitrobenzene

CAS
577-19-5
Catalog Number
ACM577195
Category
Bromine Series
Molecular Weight
202.01g/mol
Molecular Formula
C6H4BrNO2

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Specification

IUPAC Name
1-bromo-2-nitrobenzene
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
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
10
LogP
2.52 (LogP)
Monoisotopic Mass
200.94254g/mol
NSC Number
403836
Rotatable Bond Count
0
XLogP3
2.5
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