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31719-77-4,MFCD00191922
Catalog No.:AA003I4K
31719-77-4 | 3-(Chloromethyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$15.00   $10.00
- +
25g
98%
in stock  
$38.00   $26.00
- +
100g
98%
in stock  
$143.00   $100.00
- +
500g
98%
in stock  
$556.00   $389.00
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I4K
Chemical Name:
3-(Chloromethyl)benzoic acid
CAS Number:
31719-77-4
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00191922
IUPAC Name:
3-(chloromethyl)benzoic acid
InChI:
InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
PBSUMBYSVFTMNG-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C(=O)O
NSC Number:
49611
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-(Chloromethyl)benzoic acid 
31719-77-4 
3-Carboxybenzyl chloride 
AC1Q3U7J 
3-(Chloromethyl)benzoicAcid 
SCHEMBL46680 
KSC497K4L 
CHEMBL67150 
3-(chloromethyl) benzoic acid 
3-(chloromethyl)-benzoic acid 
AC1Q72Z5 
Jsp005901 
3-chloromethylbenzoic acid 
CTK3J7545 
KS-00000CLV 
M-CHLOROMETHYLBENZOIC ACID 
DTXSID00287192 
PBSUMBYSVFTMNG-UHFFFAOYSA-N 
ZINC331709 
AC1L6815 
STR05265 
3-(Chloromethyl)benzoic acid, 97% 
ANW-27182 
alpha-Chloro-m-toluic acid 
NSC-49611 
SBB069091 
AKOS008969274 
AS00739 
CS-W010779 
MCULE-1453112077 
RTR-013428 
TRA0028065 
VZ26075 
AC-17000 
3-Chloromethyl-benzoic acid 
AJ-19454 
AK-34651 
BR-34651 
L370 
SC-03385 
AB0014669 
DB-008242 
TR-013428 
AM20050531 
FT-0600632 
Benzoic acid, 3-(chloromethyl)- 
ST24032570 
EN300-30794 
M-2807 
AC-907/25014203 
J-510844 
S04-0067 
InChI=1/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11 
3- benzoicacid 
C8H7ClO2 
2-Methoxy-6-methylpyridine 
MFCD00191922 
cc-396 
AR-1E7462 
CID241752 
36701-91-4 
NSC49611 
PubChem7446 
ACMC-209hog 
Literature
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