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116509-99-0 | Benzene, 1-bromo-2-(1-heptyn-1-yl)-
CAS No: 116509-99-0 Catalog No: AG000CO8 MDL No:
Product Description
Catalog Number:
AG000CO8
Chemical Name:
Benzene, 1-bromo-2-(1-heptyn-1-yl)-
CAS Number:
116509-99-0
Molecular Formula:
C13H15Br
Molecular Weight:
251.1622
IUPAC Name:
1-bromo-2-hept-1-ynylbenzene
InChI:
InChI=1S/C13H15Br/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11H,2-5H2,1H3
InChI Key:
QOAFQZOSJGIWJX-UHFFFAOYSA-N
SMILES:
CCCCCC#Cc1ccccc1Br
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.167g/mol
Monoisotopic Mass:
250.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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