Home Bromides 1729-99-3
1729-99-3,MFCD00040290
Catalog No.:AA003NET
1729-99-3 | 8-Bromo-1-naphthoic acid
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250mg
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$40.00   $28.00
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1g
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$92.00   $64.00
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  • Technical Information
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  • Literature
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  • Technical Information
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Technical Information
Catalog Number:
AA003NET
Chemical Name:
8-Bromo-1-naphthoic acid
CAS Number:
1729-99-3
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD00040290
IUPAC Name:
8-bromonaphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)
InChI Key:
DMEZDDHJCUHENA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1c(Br)ccc2
EC Number:
217-045-9
Properties
Computed Properties
 
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.963g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.079g/mol
Monoisotopic Mass:
249.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
8-Bromo-1-naphthoic acid 
1729-99-3 
SCHEMBL955263 
CTK0I1153 
HMS547J04 
KS-00003SSH 
DTXSID60169425 
ZINC134472 
8-bromo-1-naphthalenecarboxylic acid 
ANW-53761 
MFCD00029357 
1-Naphthalenecarboxylicacid, 8-bromo- 
8-bromonaphthalene-1-carboxylic acid 
8-bromo-naphthalene-1-carboxylic acid 
AKOS015893076 
AM84606 
CB-3995 
CCG-233260 
MCULE-7465354833 
RP06140 
TRA0080325 
AJ-12227 
AK-27830 
1-Naphthalenecarboxylic acid, 8-bromo- 
AN-49784 
BC201935 
SC-75739 
TS-00784 
AB0020305 
AB1007109 
DB-026970 
TC-142506 
4CH-007409 
FT-0084713 
DMEZDDHJCUHENA-UHFFFAOYSA-N 
FT-0621509 
ST24029998 
V1139 
M-7999 
729B993 
I04-1270 
W-206048 
Z1741980054 
null 
C11H7BrO2 
EINECS 217-045-9 
C11-H7-Br-O2 
AIDS018024 
CID72873 
AR-1H4405 
17670-95-0 
AC1L2IUT 
Maybridge1_002138 
AC1Q5U4N 
8-Bromo-1-carboxynaphthalene 
Literature

Title: 8-Bromo-naphthalen-1-amine.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

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