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177496-81-0 | 2H-1-Benzopyran-3-carboxylic acid, 6,8-dibromo-, methyl ester
CAS No: 177496-81-0 Catalog No: AG0025CF MDL No:MFCD04114601
Product Description
Catalog Number:
AG0025CF
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 6,8-dibromo-, methyl ester
CAS Number:
177496-81-0
Molecular Formula:
C11H8Br2O3
Molecular Weight:
347.9874
MDL Number:
MFCD04114601
IUPAC Name:
methyl 6,8-dibromo-2H-chromene-3-carboxylate
InChI:
InChI=1S/C11H8Br2O3/c1-15-11(14)7-2-6-3-8(12)4-9(13)10(6)16-5-7/h2-4H,5H2,1H3
InChI Key:
MEWRMUMMDBLGMW-UHFFFAOYSA-N
SMILES:
COC(=O)C1=Cc2c(OC1)c(Br)cc(c2)Br
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.882g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.99g/mol
Monoisotopic Mass:
345.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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