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137695-98-8 | Phenol, 2,6-bis(bromomethyl)-4-chloro-3,5-dimethyl-
CAS No: 137695-98-8 Catalog No: AG0013QE MDL No:
Product Description
Catalog Number:
AG0013QE
Chemical Name:
Phenol, 2,6-bis(bromomethyl)-4-chloro-3,5-dimethyl-
CAS Number:
137695-98-8
Molecular Formula:
C10H11Br2ClO
Molecular Weight:
342.4547
IUPAC Name:
2,6-bis(bromomethyl)-4-chloro-3,5-dimethylphenol
InChI:
InChI=1S/C10H11Br2ClO/c1-5-7(3-11)10(14)8(4-12)6(2)9(5)13/h14H,3-4H2,1-2H3
InChI Key:
RSESUBZDWQBHOE-UHFFFAOYSA-N
SMILES:
BrCc1c(O)c(CBr)c(c(c1C)Cl)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.884g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.455g/mol
Monoisotopic Mass:
339.887g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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