Home Bromides 101417-40-7
101417-40-7,MFCD21604251
Catalog No.:AA0004CE
101417-40-7 | 4-(Bromomethyl)benzo[d][1,3]dioxole
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1g
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Technical Information
Catalog Number:
AA0004CE
Chemical Name:
4-(Bromomethyl)benzo[d][1,3]dioxole
CAS Number:
101417-40-7
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD21604251
IUPAC Name:
4-(bromomethyl)-1,3-benzodioxole
InChI:
InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2
InChI Key:
NXSORIZRMNGQNL-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1OCO2
Properties
Computed Properties
 
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
4-(Bromomethyl)benzo[d][1,3]dioxole 
101417-40-7 
ANW-70654 
MFCD21604251 
ZINC82046495 
1,3-Benzodioxole, 4-(bromomethyl)- 
AKOS016001377 
4-(Bromomethyl)-2H-1,3-benzodioxole 
CS-W022008 
FCH1615872 
MP-1677 
4-(Bromomethyl);benzo[d][1,3]dioxole 
4-(bromomethyl)-1,3-Benzodioxole 
CJ-22022 
DA-18921 
DS-16569 
AB0052085 
AJ-124190 
AX8220688 
TC-159399 
4CH-011079 
FT-0736891 
ST24023198 
AK-76075 
Z3805 
C8H7BrO2 
SCHEMBL2168952 
CTK8C3843 
DTXSID10626331 
NXSORIZRMNGQNL-UHFFFAOYSA-N 
2,3-(methylenedioxy)benzyl bromide 
BCP25757 
Literature
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