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81216-14-0

81216-14-0 | 7-bromohept-1-yne

CAS No: 81216-14-0 Catalog No: AG01EXI8 MDL No:

Product Description

Catalog Number:
AG01EXI8
Chemical Name:
7-bromohept-1-yne
CAS Number:
81216-14-0
Molecular Formula:
C7H11Br
Molecular Weight:
175.0662
IUPAC Name:
7-bromohept-1-yne
InChI:
InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChI Key:
SCHBMYWHADQVBE-UHFFFAOYSA-N
SMILES:
BrCCCCCC#C

Properties

Complexity:
77.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.004g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.069g/mol
Monoisotopic Mass:
174.004g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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