Monomers
2,4-Dibromostyrene
Identifiers
IUPAC name
2,4-dibromo-1-ethenylbenzene
InchI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
InchI Key
NTHFKMZKTASAMH-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1Br)Br
Canonical SMILES
C=CC1=C(C=C(C=C1)Br)Br
Isomeric SMILES
C=CC1=C(C=C(C=C1)Br)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Br2
Heavy Atom Count
10
Molecular Weight
261.944
Exact Molecular Weight
259.8836
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.8546
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-2.6352 -0.9205 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9063 0.1425 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4783 0.1234 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2004 -1.0109 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6004 -0.9659 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2884 0.2011 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6181 1.3537 -0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2474 1.2817 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 2.8568 -0.7718 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2028 0.1641 0.2858 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.2546 -1.9042 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7315 -0.8017 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4156 1.0705 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 -1.9659 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0943 -1.8832 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1802 2.2584 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
5 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers