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Home > Bromides > 1349718-11-1
1349718-11-1 | 4-Bromo-2,6-diisopropylbenzoic acid
CAS No: 1349718-11-1 Catalog No: AG01FDVV MDL No:MFCD18917126
Product Description
Catalog Number:
AG01FDVV
Chemical Name:
4-Bromo-2,6-diisopropylbenzoic acid
CAS Number:
1349718-11-1
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
MDL Number:
MFCD18917126
IUPAC Name:
4-bromo-2,6-di(propan-2-yl)benzoic acid
InChI:
InChI=1S/C13H17BrO2/c1-7(2)10-5-9(14)6-11(8(3)4)12(10)13(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key:
ZNQUDJDCQZEUOG-UHFFFAOYSA-N
SMILES:
Brc1cc(C(C)C)c(c(c1)C(C)C)C(=O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.181g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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