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2362-12-1 | Phenol, 4-bromo-2-methyl-
CAS No: 2362-12-1 Catalog No: AG002NXE MDL No:MFCD00055435
Product Description
Catalog Number:
AG002NXE
Chemical Name:
Phenol, 4-bromo-2-methyl-
CAS Number:
2362-12-1
Molecular Formula:
C7H7BrO
Molecular Weight:
187.0339
MDL Number:
MFCD00055435
IUPAC Name:
4-bromo-2-methylphenol
InChI:
InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChI Key:
IWJGMJHAIUBWKT-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)O
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.968g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.036g/mol
Monoisotopic Mass:
185.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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