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1261852-55-4 | Phenol, 3-(bromomethyl)-2-methyl-
CAS No: 1261852-55-4 Catalog No: AG000S2P MDL No:
Product Description
Catalog Number:
AG000S2P
Chemical Name:
Phenol, 3-(bromomethyl)-2-methyl-
CAS Number:
1261852-55-4
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
IUPAC Name:
3-(bromomethyl)-2-methylphenol
InChI:
InChI=1S/C8H9BrO/c1-6-7(5-9)3-2-4-8(6)10/h2-4,10H,5H2,1H3
InChI Key:
CVKUTECBPPMFLK-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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