Benzoic acid, 3-bromo-5-(1-methylethyl)-


Chemical Name: Benzoic acid, 3-bromo-5-(1-methylethyl)-
CAS Number: 112930-39-9
Product Number: AG00365U(AGN-PC-0NY1QW)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/3-bromo-5-isopropylbenzoic_acid-112930-39-9-HNMR.pdf

Other Analytical Data


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