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142169-63-9 | 1-Azulenecarboxylic acid, 4-(bromomethyl)-, methyl ester
CAS No: 142169-63-9 Catalog No: AG001HWB MDL No:
Product Description
Catalog Number:
AG001HWB
Chemical Name:
1-Azulenecarboxylic acid, 4-(bromomethyl)-, methyl ester
CAS Number:
142169-63-9
Molecular Formula:
C13H11BrO2
Molecular Weight:
279.1292
IUPAC Name:
methyl 4-(bromomethyl)azulene-1-carboxylate
InChI:
InChI=1S/C13H11BrO2/c1-16-13(15)12-7-6-10-9(8-14)4-2-3-5-11(10)12/h2-7H,8H2,1H3
InChI Key:
VKOCBRIWTZEKNW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c1ccccc2CBr
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.133g/mol
Monoisotopic Mass:
277.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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