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Home > Bromides > 1439902-38-1
1439902-38-1 | 2-[4-(4-Bromophenyl)-1-(tert-butoxycarbonyl)piperidin-4-yl]acetic acid
CAS No: 1439902-38-1 Catalog No: AG01F4ZT MDL No:
Product Description
Catalog Number:
AG01F4ZT
Chemical Name:
2-[4-(4-Bromophenyl)-1-(tert-butoxycarbonyl)piperidin-4-yl]acetic acid
CAS Number:
1439902-38-1
Molecular Formula:
C18H24BrNO4
Molecular Weight:
398.2915
IUPAC Name:
2-[4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
InChI:
InChI=1S/C18H24BrNO4/c1-17(2,3)24-16(23)20-10-8-18(9-11-20,12-15(21)22)13-4-6-14(19)7-5-13/h4-7H,8-12H2,1-3H3,(H,21,22)
InChI Key:
IJJUJLLVKCKTSB-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1)Br
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.297g/mol
Monoisotopic Mass:
397.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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