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24480-13-5 | 1-Pentyne, 3-bromo-
CAS No: 24480-13-5 Catalog No: AG002OAY MDL No:
Product Description
Catalog Number:
AG002OAY
Chemical Name:
1-Pentyne, 3-bromo-
CAS Number:
24480-13-5
Molecular Formula:
C5H7Br
Molecular Weight:
147.0131
IUPAC Name:
3-bromopent-1-yne
InChI:
InChI=1S/C5H7Br/c1-3-5(6)4-2/h1,5H,4H2,2H3
InChI Key:
ZFMAKUZDEVRFGM-UHFFFAOYSA-N
SMILES:
CCC(C#C)Br
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.973g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.015g/mol
Monoisotopic Mass:
145.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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