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Home Halogens 2-Bromo-6-chloro-4-nitroaniline

2-Bromo-6-chloro-4-nitroaniline

CAS No.:
99-29-6
Catalog Number:
AG00665F
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$52
- +
5g
95+%
1 week
United States
$53
- +
25g
95+%
1 week
United States
$69
- +
Product Description
Catalog Number:
AG00665F
Chemical Name:
2-Bromo-6-chloro-4-nitroaniline
CAS Number:
99-29-6
Molecular Formula:
C6H4BrClN2O2
Molecular Weight:
251.4652
MDL Number:
MFCD00014770
IUPAC Name:
2-bromo-6-chloro-4-nitroaniline
InChI:
InChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
InChI Key:
GLUCALKKMFBJEB-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1N)Br)[N+](=O)[O-]
EC Number:
202-745-9
NSC Number:
88985
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.914g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.464g/mol
Monoisotopic Mass:
249.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Hydrogen bonding in C-substituted nitroanilines: simple C(8) chains in 2-bromo-6-chloro-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20050501
Properties