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131815-91-3 | 2H-1-Benzopyran-4-ol, 6-bromo-3,4-dihydro-2,2-dimethyl-
CAS No: 131815-91-3 Catalog No: AG000ZS6 MDL No:MFCD09882020
Product Description
Catalog Number:
AG000ZS6
Chemical Name:
2H-1-Benzopyran-4-ol, 6-bromo-3,4-dihydro-2,2-dimethyl-
CAS Number:
131815-91-3
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD09882020
IUPAC Name:
6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-ol
InChI:
InChI=1S/C11H13BrO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9,13H,6H2,1-2H3
InChI Key:
BYWFUYOGOBHAQS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(O)CC(O2)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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