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112930-39-9 | 3-bromo-5-isopropylbenzoic acid
CAS No: 112930-39-9 Catalog No: AG00365U MDL No:MFCD20040502
Product Description
Catalog Number:
AG00365U
Chemical Name:
3-bromo-5-isopropylbenzoic acid
CAS Number:
112930-39-9
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD20040502
IUPAC Name:
3-bromo-5-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11BrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6H,1-2H3,(H,12,13)
InChI Key:
SRTKNJYXJIAPIR-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)O)C(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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