Home Other Building Blocks 3-(3-Bromophenyl)-dl-beta-alaninol

3-(3-Bromophenyl)-dl-beta-alaninol

CAS No.:
787615-13-8
Catalog Number:
AG00G2X3
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$130
- +
Product Description
Catalog Number:
AG00G2X3
Chemical Name:
3-(3-Bromophenyl)-dl-beta-alaninol
CAS Number:
787615-13-8
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD06227471
IUPAC Name:
3-amino-3-(3-bromophenyl)propan-1-ol
InChI:
InChI=1S/C9H12BrNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2
InChI Key:
ITAZYIGUHYEVEU-UHFFFAOYSA-N
SMILES:
OCCC(c1cccc(c1)Br)N
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties