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Home > Bromides > 1253654-65-7
1253654-65-7 | 2-Naphthalenecarboxylic acid, 1-bromo-5,6,7,8-tetrahydro-4-hydroxy-, methyl ester
CAS No: 1253654-65-7 Catalog No: AG000NJA MDL No:MFCD17215777
Product Description
Catalog Number:
AG000NJA
Chemical Name:
2-Naphthalenecarboxylic acid, 1-bromo-5,6,7,8-tetrahydro-4-hydroxy-, methyl ester
CAS Number:
1253654-65-7
Molecular Formula:
C12H13BrO3
Molecular Weight:
285.1338
MDL Number:
MFCD17215777
IUPAC Name:
methyl 1-bromo-4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
InChI:
InChI=1S/C12H13BrO3/c1-16-12(15)9-6-10(14)7-4-2-3-5-8(7)11(9)13/h6,14H,2-5H2,1H3
InChI Key:
GPBUOGKTUHSZDN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(c1Br)CCCC2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.137g/mol
Monoisotopic Mass:
284.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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