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264264-94-0 | 2H-1-Benzopyran, 8-bromo-2,2-dimethyl-
CAS No: 264264-94-0 Catalog No: AG002T5V MDL No:
Product Description
Catalog Number:
AG002T5V
Chemical Name:
2H-1-Benzopyran, 8-bromo-2,2-dimethyl-
CAS Number:
264264-94-0
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
8-bromo-2,2-dimethylchromene
InChI:
InChI=1S/C11H11BrO/c1-11(2)7-6-8-4-3-5-9(12)10(8)13-11/h3-7H,1-2H3
InChI Key:
BHBVJKGKZPTALF-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1OC(C)(C)C=C2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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