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177496-79-6

177496-79-6 | 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-, methyl ester

CAS No: 177496-79-6 Catalog No: AG0025CG MDL No:MFCD04114604

Product Description

Catalog Number:
AG0025CG
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 6-bromo-, methyl ester
CAS Number:
177496-79-6
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
MDL Number:
MFCD04114604
IUPAC Name:
methyl 6-bromo-2H-chromene-3-carboxylate
InChI:
InChI=1S/C11H9BrO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5H,6H2,1H3
InChI Key:
CEULXKZILRCRET-UHFFFAOYSA-N
SMILES:
COC(=O)C1=Cc2c(OC1)ccc(c2)Br

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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