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304436-19-9 | Furo[3,2-b]pyridine-4(2H)-carboxylic acid, 2-(bromomethyl)hexahydro-2-methoxy-, phenylmethyl ester, (3aS,7aS)-
CAS No: 304436-19-9 Catalog No: AG00304G MDL No:MFCD23704950
Product Description
Catalog Number:
AG00304G
Chemical Name:
Furo[3,2-b]pyridine-4(2H)-carboxylic acid, 2-(bromomethyl)hexahydro-2-methoxy-, phenylmethyl ester, (3aS,7aS)-
CAS Number:
304436-19-9
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
MDL Number:
MFCD23704950
IUPAC Name:
benzyl (3aS,7aS)-2-(bromomethyl)-2-methoxy-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate
InChI:
InChI=1S/C17H22BrNO4/c1-21-17(12-18)10-14-15(23-17)8-5-9-19(14)16(20)22-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15-,17?/m0/s1
InChI Key:
NTZWMRWDIVWIJJ-GIIGEWEBSA-N
SMILES:
COC1(CBr)O[C@@H]2[C@H](C1)N(CCC2)C(=O)OCc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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