3,5-bis(chloromethyl)-4-methylbenzoic acid


Chemical Name: 3,5-bis(chloromethyl)-4-methylbenzoic acid
CAS Number: 37908-90-0
Product Number: AG00CIYN(AGN-PC-0KGA0Z)
Synonyms:
MDL No: MFCD03957586
Molecular Formula: C10H10Cl2O2
Molecular Weight: 233.0912

Identification/Properties


Computed Properties
Molecular Weight:
233.088g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
232.006g/mol
Monoisotopic Mass:
232.006g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
194
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:
Danger
UN#:
3261
Hazard Statements:
H335-H314
Precautionary Statements:
P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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