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116509-98-9 | 2-Propyn-1-ol, 3-(2-bromophenyl)-
CAS No: 116509-98-9 Catalog No: AG000CO9 MDL No:MFCD04039054
Product Description
Catalog Number:
AG000CO9
Chemical Name:
2-Propyn-1-ol, 3-(2-bromophenyl)-
CAS Number:
116509-98-9
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
MDL Number:
MFCD04039054
IUPAC Name:
3-(2-bromophenyl)prop-2-yn-1-ol
InChI:
InChI=1S/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2
InChI Key:
XKDNOCLQNOYLPM-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccccc1Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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