Home Nitriles 3-Bromobenzonitrile

3-Bromobenzonitrile

CAS No.:
6952-59-6
Catalog Number:
AG0033MR
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$5
- +
25g
95%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0033MR
Chemical Name:
3-Bromobenzonitrile
CAS Number:
6952-59-6
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD00001796
IUPAC Name:
3-bromobenzonitrile
InChI:
InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:
STXAVEHFKAXGOX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Br
EC Number:
230-127-9
NSC Number:
59731
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties