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4245-89-0 | 1-bromohexa-2,4-diyne
CAS No: 4245-89-0 Catalog No: AG01EMSO MDL No:MFCD20623864
Product Description
Catalog Number:
AG01EMSO
Chemical Name:
1-bromohexa-2,4-diyne
CAS Number:
4245-89-0
MDL Number:
MFCD20623864
IUPAC Name:
1-bromohexa-2,4-diyne
InChI:
InChI=1S/C6H5Br/c1-2-3-4-5-6-7/h6H2,1H3
InChI Key:
NHJJBHQNCMQFSD-UHFFFAOYSA-N
SMILES:
CC#CC#CCBr
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.957g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.01g/mol
Monoisotopic Mass:
155.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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