Home Nitriles 3-Bromo-4-(hydroxymethyl)benzonitrile

3-Bromo-4-(hydroxymethyl)benzonitrile

CAS No.:
90110-98-8
Catalog Number:
AG00GTG2
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$63
- +
1g
98%
In Stock USA
United States
$163
- +
5g
98%
In Stock USA
United States
$538
- +
10g
98%
In Stock USA
United States
$825
- +
Product Description
Catalog Number:
AG00GTG2
Chemical Name:
3-Bromo-4-(hydroxymethyl)benzonitrile
CAS Number:
90110-98-8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD09907613
IUPAC Name:
3-bromo-4-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key:
LMKVEJWFFPCGJC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)CO
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties