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1647-23-0 | Butane, 1-bromo-3,3-dimethyl-
CAS No: 1647-23-0 Catalog No: AG001V24 MDL No:MFCD00060844
Product Description
Catalog Number:
AG001V24
Chemical Name:
Butane, 1-bromo-3,3-dimethyl-
CAS Number:
1647-23-0
Molecular Formula:
C6H13Br
Molecular Weight:
165.0714
MDL Number:
MFCD00060844
IUPAC Name:
1-bromo-3,3-dimethylbutane
InChI:
InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChI Key:
ROKZAMCDHKVZIQ-UHFFFAOYSA-N
SMILES:
BrCCC(C)(C)C
Properties
Complexity:
42.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.074g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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