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174894-80-5 | 2H-1-Benzopyran, 6-bromo-3,4-dihydro-2,2-dimethyl-
CAS No: 174894-80-5 Catalog No: AG00200N MDL No:MFCD11870667
Product Description
Catalog Number:
AG00200N
Chemical Name:
2H-1-Benzopyran, 6-bromo-3,4-dihydro-2,2-dimethyl-
CAS Number:
174894-80-5
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD11870667
IUPAC Name:
6-bromo-2,2-dimethyl-3,4-dihydrochromene
InChI:
InChI=1S/C11H13BrO/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7H,5-6H2,1-2H3
InChI Key:
HOPZMALEQZMIAZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCC(O2)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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