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methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate

methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate

CAS: 1216183-10-6

Formula: C11H11BrO3

SMILES: COC(=O)C1CCC2=C(O1)C=CC(Br)=C2

IUPAC: methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate

InChI: InChI=1/C11H11BrO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3

Composition: C (48.73%), H (4.09%), Br (29.47%), O (17.70%)

Molar Mass: 271.11

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 269.989157
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VWCNPBJEYCPANM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.65
Topological Polar Surface Area 35.53
Polarizability 23.13
Ring Count 2
Rotatable Bond Count 2

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98% <5 Days 1216183-10-6 $157.63-$738.95$157.63$266.07$738.95
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