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Home Halogens Methyl 4-bromobenzoate

Methyl 4-bromobenzoate

CAS No.:
619-42-1
Catalog Number:
AG00357E
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00357E
Chemical Name:
Methyl 4-bromobenzoate
CAS Number:
619-42-1
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD00013531
IUPAC Name:
methyl 4-bromobenzoate
InChI:
InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:
CZNGTXVOZOWWKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Br
EC Number:
210-596-6
UNII:
UB1YSJ5XAR
NSC Number:
9392
Properties
Complexity:
139  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis of classical, three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates. Journal of medicinal chemistry 20041230
Properties