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113613-63-1 | Benzene, 1-bromo-2-(dibutoxymethyl)-
CAS No: 113613-63-1 Catalog No: AG00095M MDL No:
Product Description
Catalog Number:
AG00095M
Chemical Name:
Benzene, 1-bromo-2-(dibutoxymethyl)-
CAS Number:
113613-63-1
Molecular Formula:
C15H23BrO2
Molecular Weight:
315.2459
IUPAC Name:
1-bromo-2-(dibutoxymethyl)benzene
InChI:
InChI=1S/C15H23BrO2/c1-3-5-11-17-15(18-12-6-4-2)13-9-7-8-10-14(13)16/h7-10,15H,3-6,11-12H2,1-2H3
InChI Key:
KMLAULZPHNKGJF-UHFFFAOYSA-N
SMILES:
CCCCOC(c1ccccc1Br)OCCCC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.251g/mol
Monoisotopic Mass:
314.088g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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