200,000+ products from a single source!
sales@angenechem.com
87639-12-1 | Benzene, 1-bromo-4-[1-(2-phenylethenyl)-3-butynyl]-
CAS No: 87639-12-1 Catalog No: AG004LDW MDL No:
Product Description
Catalog Number:
AG004LDW
Chemical Name:
Benzene, 1-bromo-4-[1-(2-phenylethenyl)-3-butynyl]-
CAS Number:
87639-12-1
Molecular Formula:
C18H15Br
Molecular Weight:
311.2157
IUPAC Name:
1-bromo-4-(1-phenylhex-1-en-5-yn-3-yl)benzene
InChI:
InChI=1S/C18H15Br/c1-2-6-16(17-11-13-18(19)14-12-17)10-9-15-7-4-3-5-8-15/h1,3-5,7-14,16H,6H2
InChI Key:
BVUIRRPIPISVKM-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccc(cc1)Br)C=Cc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.222g/mol
Monoisotopic Mass:
310.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.