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Home > Bromides > 1263284-23-6
1263284-23-6 | 1,4-Benzodioxin-2-methanol, 6-bromo-2,3-dihydro-, (2S)-
CAS No: 1263284-23-6 Catalog No: AG000SME MDL No:MFCD22423015
Product Description
Catalog Number:
AG000SME
Chemical Name:
1,4-Benzodioxin-2-methanol, 6-bromo-2,3-dihydro-, (2S)-
CAS Number:
1263284-23-6
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD22423015
IUPAC Name:
[(2S)-6-bromo-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
InChI:
InChI=1S/C9H9BrO3/c10-6-1-2-8-9(3-6)12-5-7(4-11)13-8/h1-3,7,11H,4-5H2/t7-/m0/s1
InChI Key:
GJEZMJKQOBAYTM-ZETCQYMHSA-N
SMILES:
OC[C@H]1COc2c(O1)ccc(c2)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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