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122444-35-3 | Benzeneethanol, 2-(bromomethyl)-
CAS No: 122444-35-3 Catalog No: AG00178S MDL No:
Product Description
Catalog Number:
AG00178S
Chemical Name:
Benzeneethanol, 2-(bromomethyl)-
CAS Number:
122444-35-3
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
IUPAC Name:
2-[2-(bromomethyl)phenyl]ethanol
InChI:
InChI=1S/C9H11BrO/c10-7-9-4-2-1-3-8(9)5-6-11/h1-4,11H,5-7H2
InChI Key:
JKJGTOVWPXJAIK-UHFFFAOYSA-N
SMILES:
OCCc1ccccc1CBr
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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