Formula |
C8H6BrNO4 |
IUPAC Name |
4-(bromomethyl)-3-nitro-benzoic acid |
Molecular Mass |
260.042 g·mol−1 |
Heat of Formation |
-295.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.82 ± 1.08 D |
Volume |
224.83 Å 3 |
Surface Area |
214.2 Å 2 |
HOMO Energy |
-10.47 ± 0.55 eV |
LUMO Energy |
-1.88 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-bromomethyl-3-nitrobenzoic acid
- ag-205/15424370
- benzoic acid, 4-(bromomethyl)-3-nitro-
- bnba
|
InChIKey |
QMAHVAFURJBOFV-UHFFFAOYSA-N |
QR Code |
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Links |
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|
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|
Elements |
H
C
O
Br
N
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