Home Halogens 4-(Aminomethyl)-3-bromobenzonitrile

4-(Aminomethyl)-3-bromobenzonitrile

CAS No.:
1261568-80-2
Catalog Number:
AG00HIZZ
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$563
- +
5g
98%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00HIZZ
Chemical Name:
4-(Aminomethyl)-3-bromobenzonitrile
CAS Number:
1261568-80-2
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD18390755
IUPAC Name:
4-(aminomethyl)-3-bromobenzonitrile
InChI:
InChI=1S/C8H7BrN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,5,11H2
InChI Key:
CEZMTUWRWQVSGS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)CN
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties