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122776-87-8 | Benzene, 1-(chloromethyl)-2,4-bis(1-methylethyl)-
CAS No: 122776-87-8 Catalog No: AG000JH0 MDL No:MFCD11190945
Product Description
Catalog Number:
AG000JH0
Chemical Name:
Benzene, 1-(chloromethyl)-2,4-bis(1-methylethyl)-
CAS Number:
122776-87-8
Molecular Formula:
C13H19Cl
Molecular Weight:
210.7430
MDL Number:
MFCD11190945
IUPAC Name:
1-(chloromethyl)-2,4-di(propan-2-yl)benzene
InChI:
InChI=1S/C13H19Cl/c1-9(2)11-5-6-12(8-14)13(7-11)10(3)4/h5-7,9-10H,8H2,1-4H3
InChI Key:
XSHGGIWBIKGBBK-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1C(C)C)C(C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.118g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.745g/mol
Monoisotopic Mass:
210.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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