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102-46-5 | Benzene, 4-(chloromethyl)-1,2-dimethyl-
CAS No: 102-46-5 Catalog No: AG00068P MDL No:MFCD00000910
Product Description
Catalog Number:
AG00068P
Chemical Name:
Benzene, 4-(chloromethyl)-1,2-dimethyl-
CAS Number:
102-46-5
Molecular Formula:
C9H11Cl
Molecular Weight:
154.6366
MDL Number:
MFCD00000910
IUPAC Name:
4-(chloromethyl)-1,2-dimethylbenzene
InChI:
InChI=1S/C9H11Cl/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6H2,1-2H3
InChI Key:
UBQRAAXAHIKWRI-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)C)C
EC Number:
203-032-5
NSC Number:
62669
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.637g/mol
Monoisotopic Mass:
154.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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