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3972-64-3

3972-64-3 | 1-Bromo-3-tert-butylbenzene

CAS No: 3972-64-3 Catalog No: AG0038RL MDL No:MFCD00234661

Product Description

Catalog Number:
AG0038RL
Chemical Name:
1-Bromo-3-tert-butylbenzene
CAS Number:
3972-64-3
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD00234661
IUPAC Name:
1-bromo-3-tert-butylbenzene
InChI:
InChI=1S/C10H13Br/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3
InChI Key:
FDXXHPYFJDKWJS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(C)(C)C
NSC Number:
400305

Properties

Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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