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23268-19-1 | 2-Furancarboxylic acid, 3-(bromomethyl)-, methyl ester
CAS No: 23268-19-1 Catalog No: AG002MQ0 MDL No:MFCD07847868
Product Description
Catalog Number:
AG002MQ0
Chemical Name:
2-Furancarboxylic acid, 3-(bromomethyl)-, methyl ester
CAS Number:
23268-19-1
Molecular Formula:
C7H7BrO3
Molecular Weight:
219.0327
MDL Number:
MFCD07847868
IUPAC Name:
methyl 3-(bromomethyl)furan-2-carboxylate
InChI:
InChI=1S/C7H7BrO3/c1-10-7(9)6-5(4-8)2-3-11-6/h2-3H,4H2,1H3
InChI Key:
KBSMQYFLZWRZQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1occc1CBr
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.034g/mol
Monoisotopic Mass:
217.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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