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1160575-02-9 | Benzoic acid, 2-chloro-5-(1-methylethyl)-
CAS No: 1160575-02-9 Catalog No: AG000BIE MDL No:MFCD11845954
Product Description
Catalog Number:
AG000BIE
Chemical Name:
Benzoic acid, 2-chloro-5-(1-methylethyl)-
CAS Number:
1160575-02-9
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD11845954
IUPAC Name:
2-chloro-5-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11ClO2/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6H,1-2H3,(H,12,13)
InChI Key:
MXEPLXPXXYZIPE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)C(=O)O)Cl)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:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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