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766-81-4 | 3-Bromophenylacetylene
CAS No: 766-81-4 Catalog No: AG003J4W MDL No:MFCD03839983
Product Description
Catalog Number:
AG003J4W
Chemical Name:
3-Bromophenylacetylene
CAS Number:
766-81-4
Molecular Formula:
C8H5Br
Molecular Weight:
181.0293
MDL Number:
MFCD03839983
IUPAC Name:
1-bromo-3-ethynylbenzene
InChI:
InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key:
TZDXNFAAJNEYIO-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)Br
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.957g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.032g/mol
Monoisotopic Mass:
179.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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