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81216-13-9 | 1-Octyne, 8-bromo-
CAS No: 81216-13-9 Catalog No: AG004Z5F MDL No:MFCD20621358
Product Description
Catalog Number:
AG004Z5F
Chemical Name:
1-Octyne, 8-bromo-
CAS Number:
81216-13-9
Molecular Formula:
C8H13Br
Molecular Weight:
189.0928
MDL Number:
MFCD20621358
IUPAC Name:
8-bromooct-1-yne
InChI:
InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
InChI Key:
XUGGUUBNZPZPHM-UHFFFAOYSA-N
SMILES:
BrCCCCCCC#C
Properties
Complexity:
88
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.096g/mol
Monoisotopic Mass:
188.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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