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Home > Bromides > 1505000-71-4
1505000-71-4 | 2-[(3-bromophenyl)methyl]-7-hydroxyheptanoic acid
CAS No: 1505000-71-4 Catalog No: AG01ELAD MDL No:MFCD24878824
Product Description
Catalog Number:
AG01ELAD
Chemical Name:
2-[(3-bromophenyl)methyl]-7-hydroxyheptanoic acid
CAS Number:
1505000-71-4
Molecular Formula:
C14H19BrO3
Molecular Weight:
315.2029
MDL Number:
MFCD24878824
IUPAC Name:
2-[(3-bromophenyl)methyl]-7-hydroxyheptanoic acid
InChI:
InChI=1S/C14H19BrO3/c15-13-7-4-5-11(10-13)9-12(14(17)18)6-2-1-3-8-16/h4-5,7,10,12,16H,1-3,6,8-9H2,(H,17,18)
InChI Key:
PAOOPFYJVONYLH-UHFFFAOYSA-N
SMILES:
OCCCCCC(C(=O)O)Cc1cccc(c1)Br
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.207g/mol
Monoisotopic Mass:
314.052g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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