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28619-77-4 | 2H-1-Benzopyran-4-ol, 3-bromo-3,4-dihydro-, acetate, trans- (9CI)
CAS No: 28619-77-4 Catalog No: AG002VVL MDL No:
Product Description
Catalog Number:
AG002VVL
Chemical Name:
2H-1-Benzopyran-4-ol, 3-bromo-3,4-dihydro-, acetate, trans- (9CI)
CAS Number:
28619-77-4
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
IUPAC Name:
acetic acid;(3R,4R)-3-bromo-3,4-dihydro-2H-chromen-4-ol
InChI:
InChI=1S/C9H9BrO2.C2H4O2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11;1-2(3)4/h1-4,7,9,11H,5H2;1H3,(H,3,4)/t7-,9-;/m1./s1
InChI Key:
FCCVMACUNWIJNN-PRCZDLBKSA-N
SMILES:
CC(=O)O[C@H]1[C@H](Br)COc2c1cccc2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
288g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.125g/mol
Monoisotopic Mass:
288g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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