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190649-11-7 | Benzene, 1-bromo-4-(1-hexyn-1-yl)-
CAS No: 190649-11-7 Catalog No: AG002EPR MDL No:
Product Description
Catalog Number:
AG002EPR
Chemical Name:
Benzene, 1-bromo-4-(1-hexyn-1-yl)-
CAS Number:
190649-11-7
Molecular Formula:
C12H13Br
Molecular Weight:
237.1356
IUPAC Name:
1-bromo-4-hex-1-ynylbenzene
InChI:
InChI=1S/C12H13Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-4H2,1H3
InChI Key:
OVADVUVTFXTXOA-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)Br
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.14g/mol
Monoisotopic Mass:
236.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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